5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

C19H19N3O2 — CID 142731731

IUPAC5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc3c(N)cccc3[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-12-5-7-13(8-6-12)9-10-21-18(23)15-11-14-16(20)3-2-4-17(14)22-19(15)24/h2-8,11H,9-10,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQJMBHKDVPGFPM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142731731) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142731731
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc3c(N)cccc3[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-12-5-7-13(8-6-12)9-10-21-18(23)15-11-14-16(20)3-2-4-17(14)22-19(15)24/h2-8,11H,9-10,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQJMBHKDVPGFPM-UHFFFAOYSA-N
XLogP2.39
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 118001771
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857441
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
N-[2-(4-methoxyphenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497361
6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427070
3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513661
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 142731731) is 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is Cc1ccc(CCNC(=O)c2cc3c(N)cccc3[nH]c2=O)cc1.
What is the InChIKey of 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JQJMBHKDVPGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-7-13(8-6-12)9-10-21-18(23)15-11-14-16(20)3-2-4-17(14)22-19(15)24/h2-8,11H,9-10,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142731731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).