N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide

C18H15N5O2 — CID 95146948

IUPACN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide
SMILESO=C1C[C@H](NC(=O)c2cnnn2-c2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H15N5O2/c24-17-10-15(13-8-4-5-9-14(13)20-17)21-18(25)16-11-19-22-23(16)12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyHYGIFBAUJLZADV-HNNXBMFYSA-N
MW333.35 g/mol
LogP2.08
Rot. Bonds3

About N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide

N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide (PubChem CID 95146948) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide
PubChem CID95146948
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide
SMILESO=C1C[C@H](NC(=O)c2cnnn2-c2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H15N5O2/c24-17-10-15(13-8-4-5-9-14(13)20-17)21-18(25)16-11-19-22-23(16)12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyHYGIFBAUJLZADV-HNNXBMFYSA-N
XLogP2.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
CID 126449547
N-[(1R,3R)-3-aminocyclopentyl]-3-phenyltriazole-4-carboxamide;hydrochloride
CID 154887189
3-phenyl-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]triazole-4-carboxamide
CID 167902241
1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 74239554
N-[2-(oxan-4-yl)pyrimidin-5-yl]-3-phenyltriazole-4-carboxamide
CID 155957650
N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide
CID 155952693
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058
1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide
CID 97192699
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
CID 121499795
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 99975390
3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide
CID 125174059

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide (CID 95146948) is N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide is O=C1C[C@H](NC(=O)c2cnnn2-c2ccccc2)c2ccccc2N1.
What is the InChIKey of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide?
The InChIKey is HYGIFBAUJLZADV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-17-10-15(13-8-4-5-9-14(13)20-17)21-18(25)16-11-19-22-23(16)12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide?
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide is sourced from PubChem (CID 95146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).