8-chloro-2,3-dihydro-1H-quinolin-4-one

C9H8ClNO — CID 700961

IUPAC8-chloro-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2c(Cl)cccc21
InChIInChI=1S/C9H8ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,11H,4-5H2
InChIKeySZZZZSAMIAZSIE-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.34
Rot. Bonds

About 8-chloro-2,3-dihydro-1H-quinolin-4-one

8-chloro-2,3-dihydro-1H-quinolin-4-one (PubChem CID 700961) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 8-chloro-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2,3-dihydro-1H-quinolin-4-one
PubChem CID700961
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name8-chloro-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2c(Cl)cccc21
InChIInChI=1S/C9H8ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,11H,4-5H2
InChIKeySZZZZSAMIAZSIE-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2,3-dihydro-1H-quinolin-4-one (CID 700961) is 8-chloro-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is SZZZZSAMIAZSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,11H,4-5H2.
What are the key properties of 8-chloro-2,3-dihydro-1H-quinolin-4-one?
8-chloro-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 181.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 700961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).