N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C15H18N2O2 — CID 110325136

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-4-13(18)16-8-12-7-11-6-5-9(2)10(3)14(11)17-15(12)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLKWORSIZVYPHNE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds3

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110325136) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110325136
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-4-13(18)16-8-12-7-11-6-5-9(2)10(3)14(11)17-15(12)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLKWORSIZVYPHNE-UHFFFAOYSA-N
XLogP2.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110325145
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110415481
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
3-[(2,4-dimethoxyanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318836

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110325136) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCC(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is LKWORSIZVYPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-13(18)16-8-12-7-11-6-5-9(2)10(3)14(11)17-15(12)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).