6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide

C16H18N2O3 — CID 121499260

IUPAC6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NCC3CCOC3)c2c1
InChIInChI=1S/C16H18N2O3/c1-10-2-3-14-12(6-10)13(7-15(19)18-14)16(20)17-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQEBJPIMITUTNME-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds3

About 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide

6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide (PubChem CID 121499260) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
PubChem CID121499260
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NCC3CCOC3)c2c1
InChIInChI=1S/C16H18N2O3/c1-10-2-3-14-12(6-10)13(7-15(19)18-14)16(20)17-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQEBJPIMITUTNME-UHFFFAOYSA-N
XLogP1.60
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 95619761
6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
CID 119072201
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906857
6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906860
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide (CID 121499260) is 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide is Cc1ccc2[nH]c(=O)cc(C(=O)NCC3CCOC3)c2c1.
What is the InChIKey of 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide?
The InChIKey is QEBJPIMITUTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-2-3-14-12(6-10)13(7-15(19)18-14)16(20)17-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide?
6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 121499260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).