(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide

C20H22N4O3 — CID 69492162

IUPAC(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1C(O)C(O)[C@@H](c1ccccc1)N2
InChIInChI=1S/C20H22N4O3/c1-10-22-16-13(24(10)3)9-12(20(27)21-2)14-17(16)23-15(19(26)18(14)25)11-7-5-4-6-8-11/h4-9,15,18-19,23,25-26H,1-3H3,(H,21,27)/t15-,18?,19?/m1/s1
InChIKeyKGPBGEGXYZHQRZ-VNCLNFNDSA-N
MW366.42 g/mol
LogP1.80
Rot. Bonds2

About (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide

(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide (PubChem CID 69492162) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide.

Molecular Properties

Compound Name(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide
PubChem CID69492162
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c2c1C(O)C(O)[C@@H](c1ccccc1)N2
InChIInChI=1S/C20H22N4O3/c1-10-22-16-13(24(10)3)9-12(20(27)21-2)14-17(16)23-15(19(26)18(14)25)11-7-5-4-6-8-11/h4-9,15,18-19,23,25-26H,1-3H3,(H,21,27)/t15-,18?,19?/m1/s1
InChIKeyKGPBGEGXYZHQRZ-VNCLNFNDSA-N
XLogP1.80
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N,2',3'-trimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 11983211
(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603116
(8S)-N,2,3-trimethyl-8-naphthalen-1-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603322
(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 46220721
2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carbothioic S-acid
CID 87846358
7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide
CID 69317327
ethyl 2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxylate
CID 69135072
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N,1,6-trimethyl-2-oxopyridine-3-carboxamide
CID 131179511
N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 15979706
(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol
CID 21334340

Frequently Asked Questions

What is the IUPAC name of (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide?
The IUPAC name of (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide (CID 69492162) is (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide.
What is the SMILES notation for (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide?
The canonical SMILES for (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide is CNC(=O)c1cc2c(nc(C)n2C)c2c1C(O)C(O)[C@@H](c1ccccc1)N2.
What is the InChIKey of (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide?
The InChIKey is KGPBGEGXYZHQRZ-VNCLNFNDSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-10-22-16-13(24(10)3)9-12(20(27)21-2)14-17(16)23-15(19(26)18(14)25)11-7-5-4-6-8-11/h4-9,15,18-19,23,25-26H,1-3H3,(H,21,27)/t15-,18?,19?/m1/s1.
What are the key properties of (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide?
(8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6,7-dihydroxy-N,2,3-trimethyl-8-phenyl-6,7,8,9-tetrahydroimidazo[4,5-h]quinoline-5-carboxamide is sourced from PubChem (CID 69492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).