N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide

C18H15N3O2 — CID 143265631

IUPACN-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)C(=O)c1ccccc1)CN2
InChIInChI=1S/C18H15N3O2/c19-10-12-6-7-16-14(8-12)9-15(11-20-16)21-18(23)17(22)13-4-2-1-3-5-13/h1-8,15,20H,9,11H2,(H,21,23)
InChIKeyJIRDUGDFSDTUKL-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.89
Rot. Bonds3

About N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide

N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide (PubChem CID 143265631) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide
PubChem CID143265631
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)C(=O)c1ccccc1)CN2
InChIInChI=1S/C18H15N3O2/c19-10-12-6-7-16-14(8-12)9-15(11-20-16)21-18(23)17(22)13-4-2-1-3-5-13/h1-8,15,20H,9,11H2,(H,21,23)
InChIKeyJIRDUGDFSDTUKL-UHFFFAOYSA-N
XLogP1.89
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide
CID 66757946
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
CID 163915439
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 56933015
N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide?
The IUPAC name of N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide (CID 143265631) is N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide is N#Cc1ccc2c(c1)CC(NC(=O)C(=O)c1ccccc1)CN2.
What is the InChIKey of N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide?
The InChIKey is JIRDUGDFSDTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-10-12-6-7-16-14(8-12)9-15(11-20-16)21-18(23)17(22)13-4-2-1-3-5-13/h1-8,15,20H,9,11H2,(H,21,23).
What are the key properties of N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide?
N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide has a molecular weight of 305.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide is sourced from PubChem (CID 143265631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).