1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one

C15H22N2O — CID 82479603

IUPAC1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)NCCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-8-12-4-6-14-13(10-12)5-7-15(18)17(14)3/h4,6,10-11,16H,5,7-9H2,1-3H3
InChIKeyVJHKNTIGJDZYKG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.14
Rot. Bonds4

About 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 82479603) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID82479603
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)NCCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H22N2O/c1-11(2)16-9-8-12-4-6-14-13(10-12)5-7-15(18)17(14)3/h4,6,10-11,16H,5,7-9H2,1-3H3
InChIKeyVJHKNTIGJDZYKG-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687
4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 82479603) is 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one is CC(C)NCCc1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is VJHKNTIGJDZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-9-8-12-4-6-14-13(10-12)5-7-15(18)17(14)3/h4,6,10-11,16H,5,7-9H2,1-3H3.
What are the key properties of 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82479603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).