7-chloro-8-methyl-4aH-quinolin-2-one

C10H8ClNO — CID 71304033

IUPAC7-chloro-8-methyl-4aH-quinolin-2-one
SMILESCC1=C(Cl)C=CC2C=CC(=O)N=C12
InChIInChI=1S/C10H8ClNO/c1-6-8(11)4-2-7-3-5-9(13)12-10(6)7/h2-5,7H,1H3
InChIKeyOZQBGVZWUJRVSM-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.22
Rot. Bonds

About 7-chloro-8-methyl-4aH-quinolin-2-one

7-chloro-8-methyl-4aH-quinolin-2-one (PubChem CID 71304033) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 7-chloro-8-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-8-methyl-4aH-quinolin-2-one
PubChem CID71304033
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name7-chloro-8-methyl-4aH-quinolin-2-one
SMILESCC1=C(Cl)C=CC2C=CC(=O)N=C12
InChIInChI=1S/C10H8ClNO/c1-6-8(11)4-2-7-3-5-9(13)12-10(6)7/h2-5,7H,1H3
InChIKeyOZQBGVZWUJRVSM-UHFFFAOYSA-N
XLogP2.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
CID 71650402
3-fluoro-4-methyl-4aH-quinolin-2-one
CID 76130808
7-fluoro-4-methyl-4aH-quinolin-2-one
CID 76220766
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
8-(trifluoromethyl)-8H-quinolin-2-one
CID 138058914
7-chloro-8-fluoro-8H-quinolin-2-one
CID 138058931
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
8-chloro-5-fluoro-4aH-quinolin-2-one
CID 178188337
8H-quinolin-2-one
CID 17938646
4-Propan-2-ylindol-2-one
CID 20698713
4,7-dimethyl-6H-quinolin-2-one
CID 56633878
5-Azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one
CID 57220812

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-4aH-quinolin-2-one?
The IUPAC name of 7-chloro-8-methyl-4aH-quinolin-2-one (CID 71304033) is 7-chloro-8-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 7-chloro-8-methyl-4aH-quinolin-2-one?
The canonical SMILES for 7-chloro-8-methyl-4aH-quinolin-2-one is CC1=C(Cl)C=CC2C=CC(=O)N=C12.
What is the InChIKey of 7-chloro-8-methyl-4aH-quinolin-2-one?
The InChIKey is OZQBGVZWUJRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-8(11)4-2-7-3-5-9(13)12-10(6)7/h2-5,7H,1H3.
What are the key properties of 7-chloro-8-methyl-4aH-quinolin-2-one?
7-chloro-8-methyl-4aH-quinolin-2-one has a molecular weight of 193.63 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 71304033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).