3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide

C27H22N4O2 — CID 24739952

IUPAC3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ncc(C(NC(=O)c2c(O)c(-c3ccccc3)nc3ccccc23)c2ccccc2)[nH]1
InChIInChI=1S/C27H22N4O2/c1-17-28-16-22(29-17)24(18-10-4-2-5-11-18)31-27(33)23-20-14-8-9-15-21(20)30-25(26(23)32)19-12-6-3-7-13-19/h2-16,24,32H,1H3,(H,28,29)(H,31,33)
InChIKeyXRDDHVWZUAHMSV-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.16
Rot. Bonds5

About 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide

3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 24739952) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
PubChem CID24739952
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ncc(C(NC(=O)c2c(O)c(-c3ccccc3)nc3ccccc23)c2ccccc2)[nH]1
InChIInChI=1S/C27H22N4O2/c1-17-28-16-22(29-17)24(18-10-4-2-5-11-18)31-27(33)23-20-14-8-9-15-21(20)30-25(26(23)32)19-12-6-3-7-13-19/h2-16,24,32H,1H3,(H,28,29)(H,31,33)
InChIKeyXRDDHVWZUAHMSV-UHFFFAOYSA-N
XLogP5.16
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[4-(Aminomethyl)phenyl]carbamoyl}-1-[(1-Benzyl-1h-Imidazol-2-Yl)methyl]-3-Hydroxypyridinium
CID 57404341
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CID 15958281
N-[4-[[2,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-7H-purin-8-yl]amino]phenyl]-8-hydroxyquinoline-7-carboxamide;hydrochloride
CID 45263743
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide
CID 71457364
N-[6-amino-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxy-quinoline-7-carboxamide
CID 135429701
N-[2-hydroxy-4-(2-pyridin-2-yl-4,5-dihydro-1H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 135415884
(2R)-2-[[3-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 177659538
2-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]-N-(1H-imidazol-2-ylmethyl)benzamide
CID 177661105
3-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 177661268
2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 177663407
2-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 177663410
2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 177663692

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide (CID 24739952) is 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide is Cc1ncc(C(NC(=O)c2c(O)c(-c3ccccc3)nc3ccccc23)c2ccccc2)[nH]1.
What is the InChIKey of 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is XRDDHVWZUAHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-17-28-16-22(29-17)24(18-10-4-2-5-11-18)31-27(33)23-20-14-8-9-15-21(20)30-25(26(23)32)19-12-6-3-7-13-19/h2-16,24,32H,1H3,(H,28,29)(H,31,33).
What are the key properties of 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 24739952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).