7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one

C10H8ClNO2 — CID 70376894

IUPAC7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2cc(Cl)ccc2c(=O)c1O
InChIInChI=1S/C10H8ClNO2/c1-5-9(13)10(14)7-3-2-6(11)4-8(7)12-5/h2-4,13H,1H3,(H,12,14)
InChIKeyZSEFMBBNRAIMSG-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.20
Rot. Bonds

About 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one

7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one (PubChem CID 70376894) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
PubChem CID70376894
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2cc(Cl)ccc2c(=O)c1O
InChIInChI=1S/C10H8ClNO2/c1-5-9(13)10(14)7-3-2-6(11)4-8(7)12-5/h2-4,13H,1H3,(H,12,14)
InChIKeyZSEFMBBNRAIMSG-UHFFFAOYSA-N
XLogP2.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one (CID 70376894) is 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one is Cc1[nH]c2cc(Cl)ccc2c(=O)c1O.
What is the InChIKey of 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one?
The InChIKey is ZSEFMBBNRAIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-5-9(13)10(14)7-3-2-6(11)4-8(7)12-5/h2-4,13H,1H3,(H,12,14).
What are the key properties of 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one?
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one has a molecular weight of 209.63 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 70376894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).