3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one

C15H9Cl2NO3 — CID 54204189

IUPAC3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]c2cc(O)cc(O)c12
InChIInChI=1S/C15H9Cl2NO3/c16-10-2-1-7(3-11(10)17)9-6-18-12-4-8(19)5-13(20)14(12)15(9)21/h1-6,19-20H,(H,18,21)
InChIKeyPRISDOKDZHXWIF-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.91
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one

3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one (PubChem CID 54204189) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one
PubChem CID54204189
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]c2cc(O)cc(O)c12
InChIInChI=1S/C15H9Cl2NO3/c16-10-2-1-7(3-11(10)17)9-6-18-12-4-8(19)5-13(20)14(12)15(9)21/h1-6,19-20H,(H,18,21)
InChIKeyPRISDOKDZHXWIF-UHFFFAOYSA-N
XLogP3.91
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one (CID 54204189) is 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one is O=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]c2cc(O)cc(O)c12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one?
The InChIKey is PRISDOKDZHXWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-10-2-1-7(3-11(10)17)9-6-18-12-4-8(19)5-13(20)14(12)15(9)21/h1-6,19-20H,(H,18,21).
What are the key properties of 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one?
3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one has a molecular weight of 322.15 g/mol, XLogP of 3.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one is sourced from PubChem (CID 54204189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).