N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide

C15H15N3O2 — CID 96528870

IUPACN-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NC[C@H](C)C#N)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9(7-16)8-17-14(19)13-10(2)11-5-3-4-6-12(11)18-15(13)20/h3-6,9H,8H2,1-2H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyYPQKOXOETQWAPR-SECBINFHSA-N
MW269.30 g/mol
LogP1.73
Rot. Bonds3

About N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide

N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 96528870) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID96528870
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NC[C@H](C)C#N)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9(7-16)8-17-14(19)13-10(2)11-5-3-4-6-12(11)18-15(13)20/h3-6,9H,8H2,1-2H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyYPQKOXOETQWAPR-SECBINFHSA-N
XLogP1.73
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 71862176
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
CID 119362374
3-methyl-1H-indole-2-carbonitrile
CID 593371
3-methyl-2-oxo-N-propan-2-yl-1H-quinoline-4-carboxamide
CID 170238348
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 96528870) is N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NC[C@H](C)C#N)c(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YPQKOXOETQWAPR-SECBINFHSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(7-16)8-17-14(19)13-10(2)11-5-3-4-6-12(11)18-15(13)20/h3-6,9H,8H2,1-2H3,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 96528870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).