2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline

C120H135N17O — CID 157341949

IUPAC2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline
SMILESCC(C)(C)c1ncc2ccccc2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12
InChIInChI=1S/C13H14.C12H14N2.3C12H13N.2C11H12N2.2C10H11N3.C10H12N2.C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyBGMPMEGBLNCTBZ-UHFFFAOYSA-N
MW1831.52 g/mol
LogP31.86
Rot. Bonds10

About 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline

2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline (PubChem CID 157341949) has the molecular formula C120H135N17O and a molecular weight of 1831.52 g/mol. Its IUPAC name is 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline
PubChem CID157341949
Molecular FormulaC120H135N17O
Molecular Weight1831.52 g/mol
Exact Mass1830.10
IUPAC Name2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline
SMILESCC(C)(C)c1ncc2ccccc2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12
InChIInChI=1S/C13H14.C12H14N2.3C12H13N.2C11H12N2.2C10H11N3.C10H12N2.C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyBGMPMEGBLNCTBZ-UHFFFAOYSA-N
XLogP31.86
TPSA235.17 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.52
LogP ≤ 531.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline with MolForge

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
CID 44968248
N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine
CID 44968254
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
2-[4-(4-ethylhexoxy)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;1-[3-(2-isoquinolin-4-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[4-[2-[4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]phenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]ethanimidamide;2-[4-[2-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]ethynyl]isoquinolin-8-yl]guanidine
CID 158262551
1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161087555
2-[4-[3-(diethylamino)propoxy]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;1-[3-(2-isoquinolin-4-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[4-[2-[4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]phenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]ethanimidamide;2-[4-[2-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]ethynyl]isoquinolin-8-yl]guanidine
CID 161472245
N-[[2-(aminomethyl)-4-(furan-2-yl)phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 21985198
2-(2-methyl-furan-3-yl)-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-[1,8]naphthyridine
CID 68623177
1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone
CID 71029052
13-(3-Dibenzofuran-4-ylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229701
14-(3-Dibenzofuran-4-ylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71230085
19-(3-Dibenzofuran-4-ylphenyl)-3,10,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71230109

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline?
The IUPAC name of 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline (CID 157341949) is 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline.
What is the SMILES notation for 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline?
The canonical SMILES for 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline is CC(C)(C)c1ncc2ccccc2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12.
What is the InChIKey of 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline?
The InChIKey is BGMPMEGBLNCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H14N2.3C12H13N.2C11H12N2.2C10H11N3.C10H12N2.C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3.
What are the key properties of 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline?
2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline has a molecular weight of 1831.52 g/mol, XLogP of 31.86, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylquinazoline;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline is sourced from PubChem (CID 157341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).