3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide

C17H16N4O2 — CID 110680287

IUPAC3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESCc1cc2ccccc2n(CCC(=O)Nc2ncccn2)c1=O
InChIInChI=1S/C17H16N4O2/c1-12-11-13-5-2-3-6-14(13)21(16(12)23)10-7-15(22)20-17-18-8-4-9-19-17/h2-6,8-9,11H,7,10H2,1H3,(H,18,19,20,22)
InChIKeyJKAHAKYJDSCHMM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.13
Rot. Bonds4

About 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide

3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 110680287) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID110680287
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESCc1cc2ccccc2n(CCC(=O)Nc2ncccn2)c1=O
InChIInChI=1S/C17H16N4O2/c1-12-11-13-5-2-3-6-14(13)21(16(12)23)10-7-15(22)20-17-18-8-4-9-19-17/h2-6,8-9,11H,7,10H2,1H3,(H,18,19,20,22)
InChIKeyJKAHAKYJDSCHMM-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680283
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680279
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
2-(3-methyl-2-oxoquinolin-1-yl)-N-quinolin-8-ylacetamide
CID 110680398
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370
4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
CID 110676274
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide (CID 110680287) is 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide is Cc1cc2ccccc2n(CCC(=O)Nc2ncccn2)c1=O.
What is the InChIKey of 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is JKAHAKYJDSCHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-11-13-5-2-3-6-14(13)21(16(12)23)10-7-15(22)20-17-18-8-4-9-19-17/h2-6,8-9,11H,7,10H2,1H3,(H,18,19,20,22).
What are the key properties of 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide?
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 110680287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).