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

C16H20N2O2 — CID 110324363

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-3-4-8-14(19)17-10-13-9-12-7-5-6-11(2)15(12)18-16(13)20/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHKRSUMJBXAUBGA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds5

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

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide (PubChem CID 110324363) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
PubChem CID110324363
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-3-4-8-14(19)17-10-13-9-12-7-5-6-11(2)15(12)18-16(13)20/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHKRSUMJBXAUBGA-UHFFFAOYSA-N
XLogP2.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
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
3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide (CID 110324363) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide is CCCCC(=O)NCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
The InChIKey is HKRSUMJBXAUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-8-14(19)17-10-13-9-12-7-5-6-11(2)15(12)18-16(13)20/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide is sourced from PubChem (CID 110324363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).