tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate

C112H129ClF4N12O17 — CID 165011943

IUPACtetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate
SMILESCOC(=O)Cl.COC(=O)N1CCc2ccc3c(nc(C4CCCCC4)n3CC(C)c3cc(F)ccc3OC)c2C1.COc1ccc(F)cc1C(C)CNc1ccc2ccncc2c1N.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3c(ccc21)CCNC3.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3cnccc3ccc21.O=C=O.O=C=O.O=C=O.O=C=O.O=CC1CCCCC1
InChIInChI=1S/C28H34FN3O3.C26H32FN3O.C26H28FN3O.C19H20FN3O.C7H12O.C2H3ClO2.4CO2/c1-18(22-15-21(29)10-12-25(22)34-2)16-32-24-11-9-19-13-14-31(28(33)35-3)17-23(19)26(24)30-27(32)20-7-5-4-6-8-20;2*1-17(21-14-20(27)9-11-24(21)31-2)16-30-23-10-8-18-12-13-28-15-22(18)25(23)29-26(30)19-6-4-3-5-7-19;1-12(15-9-14(20)4-6-18(15)24-2)10-23-17-5-3-13-7-8-22-11-16(13)19(17)21;8-6-7-4-2-1-3-5-7;1-5-2(3)4;4*2-1-3/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3;8-11,14,17,19,28H,3-7,12-13,15-16H2,1-2H3;8-15,17,19H,3-7,16H2,1-2H3;3-9,11-12,23H,10,21H2,1-2H3;6-7H,1-5H2;1H3;;;;
InChIKeyJVKHDMPNGVDGDC-UHFFFAOYSA-N
MW2026.78 g/mol
LogP23.03
Rot. Bonds21

About tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate

tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate (PubChem CID 165011943) has the molecular formula C112H129ClF4N12O17 and a molecular weight of 2026.78 g/mol. Its IUPAC name is tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate.

Molecular Properties

Compound Nametetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate
PubChem CID165011943
Molecular FormulaC112H129ClF4N12O17
Molecular Weight2026.78 g/mol
Exact Mass2024.92
IUPAC Nametetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate
SMILESCOC(=O)Cl.COC(=O)N1CCc2ccc3c(nc(C4CCCCC4)n3CC(C)c3cc(F)ccc3OC)c2C1.COc1ccc(F)cc1C(C)CNc1ccc2ccncc2c1N.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3c(ccc21)CCNC3.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3cnccc3ccc21.O=C=O.O=C=O.O=C=O.O=C=O.O=CC1CCCCC1
InChIInChI=1S/C28H34FN3O3.C26H32FN3O.C26H28FN3O.C19H20FN3O.C7H12O.C2H3ClO2.4CO2/c1-18(22-15-21(29)10-12-25(22)34-2)16-32-24-11-9-19-13-14-31(28(33)35-3)17-23(19)26(24)30-27(32)20-7-5-4-6-8-20;2*1-17(21-14-20(27)9-11-24(21)31-2)16-30-23-10-8-18-12-13-28-15-22(18)25(23)29-26(30)19-6-4-3-5-7-19;1-12(15-9-14(20)4-6-18(15)24-2)10-23-17-5-3-13-7-8-22-11-16(13)19(17)21;8-6-7-4-2-1-3-5-7;1-5-2(3)4;4*2-1-3/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3;8-11,14,17,19,28H,3-7,12-13,15-16H2,1-2H3;8-15,17,19H,3-7,16H2,1-2H3;3-9,11-12,23H,10,21H2,1-2H3;6-7H,1-5H2;1H3;;;;
InChIKeyJVKHDMPNGVDGDC-UHFFFAOYSA-N
XLogP23.03
TPSA375.71 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.78
LogP ≤ 523.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate with MolForge

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Related Compounds

6-fluoro-3-propan-2-yl-1,4-dihydroquinazolin-2-one;5-methoxy-2-propan-2-yl-1,4-dihydroisoquinolin-3-one;8-piperidin-1-yl-3-propan-2-yl-1,4-dihydroquinazolin-2-one;propan-2-yl 3,4-dihydro-2H-1,6-naphthyridine-1-carboxylate;propan-2-yl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;propan-2-yl 5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;propan-2-yl 2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;propan-2-yl N-(2-piperidin-1-ylphenyl)carbamate;propan-2-yl N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamate;propan-2-yl spiro[2H-indole-3,1'-cyclopropane]-1-carboxylate
CID 157405993
dipotassium;tert-butyl 2-chloro-5,6,7,8-tetrahydroquinazoline-6-carboxylate;tert-butyl 2-[4-[4-[3-methyl-8-(6-methyl-3-pyridinyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;hydride;8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;oxido formate;2,2,2-trifluoroacetic acid
CID 164060922
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(S)-[2-(difluoromethyl)-5-fluorophenyl]-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(S)-(2,5-difluorophenyl)-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(S)-(5-fluoro-1H-indol-7-yl)-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(S)-(5-fluoro-2-propan-2-yloxyphenyl)-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 161295899
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164989985
CID 165067652
CID 165067652
cyclohexanecarbaldehyde;methyl 3-[(8-aminoisoquinolin-7-yl)amino]-2-(5-fluoro-2-methoxy-4-methylphenyl)propanoate;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxy-4-methylphenyl)-3-methoxy-3-oxopropyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate;methyl 3-(2-cyclohexylimidazo[4,5-h]isoquinolin-3-yl)-2-(5-fluoro-2-methoxy-4-methylphenyl)propanoate;methyl 3-(2-cyclohexyl-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinolin-3-yl)-2-(5-fluoro-2-methoxy-4-methylphenyl)propanoate
CID 165092709
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxy-2-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-(cyclohexylmethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-3-[2-(pyridin-3-ylmethylamino)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 165110485

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate?
The IUPAC name of tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate (CID 165011943) is tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate.
What is the SMILES notation for tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate?
The canonical SMILES for tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate is COC(=O)Cl.COC(=O)N1CCc2ccc3c(nc(C4CCCCC4)n3CC(C)c3cc(F)ccc3OC)c2C1.COc1ccc(F)cc1C(C)CNc1ccc2ccncc2c1N.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3c(ccc21)CCNC3.COc1ccc(F)cc1C(C)Cn1c(C2CCCCC2)nc2c3cnccc3ccc21.O=C=O.O=C=O.O=C=O.O=C=O.O=CC1CCCCC1.
What is the InChIKey of tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate?
The InChIKey is JVKHDMPNGVDGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3.C26H32FN3O.C26H28FN3O.C19H20FN3O.C7H12O.C2H3ClO2.4CO2/c1-18(22-15-21(29)10-12-25(22)34-2)16-32-24-11-9-19-13-14-31(28(33)35-3)17-23(19)26(24)30-27(32)20-7-5-4-6-8-20;2*1-17(21-14-20(27)9-11-24(21)31-2)16-30-23-10-8-18-12-13-28-15-22(18)25(23)29-26(30)19-6-4-3-5-7-19;1-12(15-9-14(20)4-6-18(15)24-2)10-23-17-5-3-13-7-8-22-11-16(13)19(17)21;8-6-7-4-2-1-3-5-7;1-5-2(3)4;4*2-1-3/h9-12,15,18,20H,4-8,13-14,16-17H2,1-3H3;8-11,14,17,19,28H,3-7,12-13,15-16H2,1-2H3;8-15,17,19H,3-7,16H2,1-2H3;3-9,11-12,23H,10,21H2,1-2H3;6-7H,1-5H2;1H3;;;;.
What are the key properties of tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate?
tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate has a molecular weight of 2026.78 g/mol, XLogP of 23.03, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);cyclohexanecarbaldehyde;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]imidazo[4,5-h]isoquinoline;2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-6,7,8,9-tetrahydroimidazo[4,5-h]isoquinoline;7-N-[2-(5-fluoro-2-methoxyphenyl)propyl]isoquinoline-7,8-diamine;methyl carbonochloridate;methyl 2-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)propyl]-7,9-dihydro-6H-imidazo[4,5-h]isoquinoline-8-carboxylate is sourced from PubChem (CID 165011943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).