7-chloro-6-methyl-1H-quinolin-4-one

C10H8ClNO — CID 53418924

IUPAC7-chloro-6-methyl-1H-quinolin-4-one
SMILESCc1cc2c(=O)cc[nH]c2cc1Cl
InChIInChI=1S/C10H8ClNO/c1-6-4-7-9(5-8(6)11)12-3-2-10(7)13/h2-5H,1H3,(H,12,13)
InChIKeyGAXBASPQVOBTBC-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.49
Rot. Bonds

About 7-chloro-6-methyl-1H-quinolin-4-one

7-chloro-6-methyl-1H-quinolin-4-one (PubChem CID 53418924) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 7-chloro-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-6-methyl-1H-quinolin-4-one
PubChem CID53418924
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name7-chloro-6-methyl-1H-quinolin-4-one
SMILESCc1cc2c(=O)cc[nH]c2cc1Cl
InChIInChI=1S/C10H8ClNO/c1-6-4-7-9(5-8(6)11)12-3-2-10(7)13/h2-5H,1H3,(H,12,13)
InChIKeyGAXBASPQVOBTBC-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-6-methyl-1H-quinolin-4-one (CID 53418924) is 7-chloro-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-6-methyl-1H-quinolin-4-one is Cc1cc2c(=O)cc[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-6-methyl-1H-quinolin-4-one?
The InChIKey is GAXBASPQVOBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-4-7-9(5-8(6)11)12-3-2-10(7)13/h2-5H,1H3,(H,12,13).
What are the key properties of 7-chloro-6-methyl-1H-quinolin-4-one?
7-chloro-6-methyl-1H-quinolin-4-one has a molecular weight of 193.63 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 53418924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).