7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one

C11H12ClNO — CID 105463693

IUPAC7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO/c1-2-7-5-11(14)13-10-6-8(12)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H,13,14)
InChIKeyISVLCPPLFGHNHX-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.18
Rot. Bonds1

About 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one

7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 105463693) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID105463693
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO/c1-2-7-5-11(14)13-10-6-8(12)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H,13,14)
InChIKeyISVLCPPLFGHNHX-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82158219
7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one
CID 175622515
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
CID 82159947
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
4-(2-bromo-5-chlorophenyl)-3-ethylpiperidine-2,6-dione
CID 79320483
4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14624973
4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 114867243
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
7-chloro-4-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 138688043

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one (CID 105463693) is 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one is CCC1CC(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ISVLCPPLFGHNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-7-5-11(14)13-10-6-8(12)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H,13,14).
What are the key properties of 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one?
7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 209.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 105463693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).