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

C10H8ClNO — CID 71651036

IUPAC8-chloro-4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C(Cl)=CC=CC12
InChIInChI=1S/C10H8ClNO/c1-6-5-9(13)12-10-7(6)3-2-4-8(10)11/h2-5,7H,1H3
InChIKeyHNHRRGOWUSRSMQ-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.22
Rot. Bonds

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

8-chloro-4-methyl-4aH-quinolin-2-one (PubChem CID 71651036) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 8-chloro-4-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-4-methyl-4aH-quinolin-2-one
PubChem CID71651036
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name8-chloro-4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C(Cl)=CC=CC12
InChIInChI=1S/C10H8ClNO/c1-6-5-9(13)12-10-7(6)3-2-4-8(10)11/h2-5,7H,1H3
InChIKeyHNHRRGOWUSRSMQ-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

1,8a-Dimethyl-3-isoquinolinone
CID 129707541
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
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
4,7-dimethyl-6H-quinolin-2-one
CID 56633878
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
1-Chlorobenzo[d][1]benzazepin-6-one
CID 126674207
5-(2-Chloropropyl)indol-2-one
CID 141227928

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-4aH-quinolin-2-one?
The IUPAC name of 8-chloro-4-methyl-4aH-quinolin-2-one (CID 71651036) is 8-chloro-4-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 8-chloro-4-methyl-4aH-quinolin-2-one?
The canonical SMILES for 8-chloro-4-methyl-4aH-quinolin-2-one is CC1=CC(=O)N=C2C(Cl)=CC=CC12.
What is the InChIKey of 8-chloro-4-methyl-4aH-quinolin-2-one?
The InChIKey is HNHRRGOWUSRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-5-9(13)12-10-7(6)3-2-4-8(10)11/h2-5,7H,1H3.
What are the key properties of 8-chloro-4-methyl-4aH-quinolin-2-one?
8-chloro-4-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 8-chloro-4-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 71651036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).