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

C17H22N2O2 — CID 69447803

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-4-5-6-15(20)18-10-14-9-13-8-11(2)7-12(3)16(13)19-17(14)21/h7-9H,4-6,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVILRKNYAJKQEJA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds5

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

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide (PubChem CID 69447803) 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]pentanamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
PubChem CID69447803
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-4-5-6-15(20)18-10-14-9-13-8-11(2)7-12(3)16(13)19-17(14)21/h7-9H,4-6,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVILRKNYAJKQEJA-UHFFFAOYSA-N
XLogP2.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
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]butane-1-sulfonamide
CID 110325324
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
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-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide (CID 69447803) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide is CCCCC(=O)NCc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The InChIKey is VILRKNYAJKQEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-5-6-15(20)18-10-14-9-13-8-11(2)7-12(3)16(13)19-17(14)21/h7-9H,4-6,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.95, 5 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]pentanamide is sourced from PubChem (CID 69447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).