N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide

C15H20N2O2 — CID 110781637

IUPACN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H20N2O2/c1-3-4-14(18)16-10-11-5-7-13-12(9-11)6-8-15(19)17(13)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyIMQPPUAEAXATNJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds4

About N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide (PubChem CID 110781637) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
PubChem CID110781637
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H20N2O2/c1-3-4-14(18)16-10-11-5-7-13-12(9-11)6-8-15(19)17(13)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyIMQPPUAEAXATNJ-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-pentylacetamide
CID 110768592
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
N-[2-(dimethylamino)ethyl]-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768552
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide (CID 110781637) is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide is CCCC(=O)NCc1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide?
The InChIKey is IMQPPUAEAXATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-14(18)16-10-11-5-7-13-12(9-11)6-8-15(19)17(13)2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide?
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide is sourced from PubChem (CID 110781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).