5,7-dichloro-4aH-quinolin-2-one

C9H5Cl2NO — CID 74600760

IUPAC5,7-dichloro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(Cl)=CC(Cl)=CC2=N1
InChIInChI=1S/C9H5Cl2NO/c10-5-3-7(11)6-1-2-9(13)12-8(6)4-5/h1-4,6H
InChIKeyXRDRIFLAZKIUBC-UHFFFAOYSA-N
MW214.05 g/mol
LogP2.40
Rot. Bonds

About 5,7-dichloro-4aH-quinolin-2-one

5,7-dichloro-4aH-quinolin-2-one (PubChem CID 74600760) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 5,7-dichloro-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-4aH-quinolin-2-one
PubChem CID74600760
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name5,7-dichloro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(Cl)=CC(Cl)=CC2=N1
InChIInChI=1S/C9H5Cl2NO/c10-5-3-7(11)6-1-2-9(13)12-8(6)4-5/h1-4,6H
InChIKeyXRDRIFLAZKIUBC-UHFFFAOYSA-N
XLogP2.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-4aH-quinolin-2-one
CID 71304098
4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
CID 71650402
6-fluoro-4aH-quinolin-2-one
CID 71650447
5-fluoro-4aH-quinolin-2-one
CID 73200527
5,8-difluoro-4aH-quinolin-2-one
CID 73415018
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618
7-chloro-8-fluoro-8H-quinolin-2-one
CID 138058931
8-chloro-5-fluoro-4aH-quinolin-2-one
CID 178188337
4-Chloroindol-2-one
CID 23212391
1-Chlorobenzo[d][1]benzazepin-6-one
CID 126674207
5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
CID 45024050

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4aH-quinolin-2-one?
The IUPAC name of 5,7-dichloro-4aH-quinolin-2-one (CID 74600760) is 5,7-dichloro-4aH-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-4aH-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-4aH-quinolin-2-one is O=C1C=CC2C(Cl)=CC(Cl)=CC2=N1.
What is the InChIKey of 5,7-dichloro-4aH-quinolin-2-one?
The InChIKey is XRDRIFLAZKIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-5-3-7(11)6-1-2-9(13)12-8(6)4-5/h1-4,6H.
What are the key properties of 5,7-dichloro-4aH-quinolin-2-one?
5,7-dichloro-4aH-quinolin-2-one has a molecular weight of 214.05 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4aH-quinolin-2-one is sourced from PubChem (CID 74600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).