6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one

C14H18N2O2 — CID 115235513

IUPAC6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CCC(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)7-8-16-13-5-4-12(15-2)9-11(13)3-6-14(16)18/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyZJEWRGDXCDPDON-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds4

About 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one

6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one (PubChem CID 115235513) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
PubChem CID115235513
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CCC(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)7-8-16-13-5-4-12(15-2)9-11(13)3-6-14(16)18/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyZJEWRGDXCDPDON-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one (CID 115235513) is 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one is CNc1ccc2c(c1)CCC(=O)N2CCC(C)=O.
What is the InChIKey of 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is ZJEWRGDXCDPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)7-8-16-13-5-4-12(15-2)9-11(13)3-6-14(16)18/h4-5,9,15H,3,6-8H2,1-2H3.
What are the key properties of 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one?
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115235513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).