methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline

C172H213N17O6 — CID 160519122

IUPACmethane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
SMILESC.C.C.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.3C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.C14H17NO.C13H16N2.C11H12N2O2.3CH4/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11;;;/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;7-9,16H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13);3*1H4
InChIKeyQUASMMWBSMSNPD-UHFFFAOYSA-N
MW2614.71 g/mol
LogP46.15
Rot. Bonds12

About methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline

methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline (PubChem CID 160519122) has the molecular formula C172H213N17O6 and a molecular weight of 2614.71 g/mol. Its IUPAC name is methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Namemethane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
PubChem CID160519122
Molecular FormulaC172H213N17O6
Molecular Weight2614.71 g/mol
Exact Mass2612.69
IUPAC Namemethane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline
SMILESC.C.C.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.3C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.C14H17NO.C13H16N2.C11H12N2O2.3CH4/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11;;;/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;7-9,16H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13);3*1H4
InChIKeyQUASMMWBSMSNPD-UHFFFAOYSA-N
XLogP46.15
TPSA301.77 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002614.71
LogP ≤ 546.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline with MolForge

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Related Compounds

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 162193573
CID 157060209
CID 157060209
CID 157071424
CID 157071424
CID 157126147
CID 157126147
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;8-tert-butylquinoline
CID 157202481
2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
CID 157285800
CID 157289620
CID 157289620
2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
CID 157404452
2-[3,5-Bis[4,6-di(quinolin-3-yl)pyrimidin-2-yl]phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis[4,6-di(quinolin-3-yl)pyrimidin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis[4,6-di(quinolin-3-yl)pyrimidin-2-yl]phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline
CID 157428288
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668
2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;4-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
CID 157525676
2-(1,3-dihydroisoindole-2-carbonyl)-1'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione;2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione;2-[5,7-dimethyl-3-[(1'-methyl-2',4'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2-yl)methyl]-2-oxobenzimidazol-1-yl]-N,N-dimethylacetamide;1'-methyl-2-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione;1'-methyl-2-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[5,7-dihydrocyclopenta[f][1,3]benzoxazole-6,5'-imidazolidine]-2',4'-dione;1'-methyl-3-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoxaline-7,5'-imidazolidine]-2',4'-dione
CID 157603926

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The IUPAC name of methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline (CID 160519122) is methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline is C.C.C.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1cc2c3c(ncc2[nH]1)CCCC3.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)NCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
The InChIKey is QUASMMWBSMSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.3C15H19N.C15H18O.C14H14N2O.C14H16N2.2C14H18N2.C14H17NO.C13H16N2.C11H12N2O2.3CH4/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-4-3-10-7-11-5-6-15-13(11)8-14(10)16-12;1-9(2)13-7-11-10-5-3-4-6-12(10)15-8-14(11)16-13;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11;;;/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;3-4,7-9,15H,5-6H2,1-2H3;7-9,16H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13);3*1H4.
What are the key properties of methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline?
methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline has a molecular weight of 2614.71 g/mol, XLogP of 46.15, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-yl-5H-chromeno[2,3-b]pyridine;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran;2-propan-2-yl-6,7,8,9-tetrahydro-3H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 160519122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).