N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide

C21H18N4O2 — CID 16613303

IUPACN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC(Cc1ncc[nH]1)c1ccccc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H18N4O2/c26-20-16(12-15-8-4-5-9-17(15)24-20)21(27)25-18(13-19-22-10-11-23-19)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyBMPGVMLYUWMJCG-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 16613303) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID16613303
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC(Cc1ncc[nH]1)c1ccccc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H18N4O2/c26-20-16(12-15-8-4-5-9-17(15)24-20)21(27)25-18(13-19-22-10-11-23-19)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyBMPGVMLYUWMJCG-UHFFFAOYSA-N
XLogP2.96
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-naphthalen-2-yloxyacetamide
CID 25345693
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 97249669
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
CID 25345035
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 16613303) is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NC(Cc1ncc[nH]1)c1ccccc1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BMPGVMLYUWMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-16(12-15-8-4-5-9-17(15)24-20)21(27)25-18(13-19-22-10-11-23-19)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16613303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).