N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide

C17H22N2O2 — CID 110325256

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)CC(C)C)cc2c1
InChIInChI=1S/C17H22N2O2/c1-10(2)5-15(20)18-9-14-8-13-7-11(3)6-12(4)16(13)19-17(14)21/h6-8,10H,5,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyQQNBUDJDZVXBKS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.81
Rot. Bonds4

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide (PubChem CID 110325256) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
PubChem CID110325256
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)CC(C)C)cc2c1
InChIInChI=1S/C17H22N2O2/c1-10(2)5-15(20)18-9-14-8-13-7-11(3)6-12(4)16(13)19-17(14)21/h6-8,10H,5,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyQQNBUDJDZVXBKS-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110325268
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 132948422
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide (CID 110325256) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide is Cc1cc(C)c2[nH]c(=O)c(CNC(=O)CC(C)C)cc2c1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide?
The InChIKey is QQNBUDJDZVXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(2)5-15(20)18-9-14-8-13-7-11(3)6-12(4)16(13)19-17(14)21/h6-8,10H,5,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 110325256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).