7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

C13H17ClN2O — CID 84634754

IUPAC7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCC1CC(=O)N(C)c2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-15-6-5-9-7-13(17)16(2)12-8-10(14)3-4-11(9)12/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyBGXMDWPTRUHXLB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.40
Rot. Bonds3

About 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 84634754) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID84634754
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCC1CC(=O)N(C)c2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-15-6-5-9-7-13(17)16(2)12-8-10(14)3-4-11(9)12/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyBGXMDWPTRUHXLB-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 84622908
4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 84624080
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride
CID 175798296
6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one
CID 82236816
4-(2-aminoethyl)-1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 84622894
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
CID 124705861
8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84633023
6-chloro-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61388107
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201111
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 84634754) is 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is CNCCC1CC(=O)N(C)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is BGXMDWPTRUHXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-6-5-9-7-13(17)16(2)12-8-10(14)3-4-11(9)12/h3-4,8-9,15H,5-7H2,1-2H3.
What are the key properties of 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84634754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).