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

C16H18N2O3 — CID 111779687

IUPACN-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCC2(O)CCC2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10-11-5-2-3-6-12(11)18-15(20)13(10)14(19)17-9-16(21)7-4-8-16/h2-3,5-6,21H,4,7-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyBEHMUYQSZXRETR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.48
Rot. Bonds3

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

N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 111779687) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID111779687
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCC2(O)CCC2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10-11-5-2-3-6-12(11)18-15(20)13(10)14(19)17-9-16(21)7-4-8-16/h2-3,5-6,21H,4,7-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyBEHMUYQSZXRETR-UHFFFAOYSA-N
XLogP1.48
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56885073
N-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 71862176
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
CID 119362374
3-methyl-2-oxo-N-propan-2-yl-1H-quinoline-4-carboxamide
CID 170238348
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 111779687) is N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCC2(O)CCC2)c(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BEHMUYQSZXRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-11-5-2-3-6-12(11)18-15(20)13(10)14(19)17-9-16(21)7-4-8-16/h2-3,5-6,21H,4,7-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 111779687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).