4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile

C22H14N2O3 — CID 54746301

IUPAC4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)cccc2[nH]c1=O
InChIInChI=1S/C22H14N2O3/c23-12-17-21(26)20-16(5-3-6-18(20)24-22(17)27)14-10-8-13(9-11-14)15-4-1-2-7-19(15)25/h1-11,25H,(H2,24,26,27)
InChIKeyARUYJUKHVNUTNP-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.14
Rot. Bonds2

About 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile

4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 54746301) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID54746301
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)cccc2[nH]c1=O
InChIInChI=1S/C22H14N2O3/c23-12-17-21(26)20-16(5-3-6-18(20)24-22(17)27)14-10-8-13(9-11-14)15-4-1-2-7-19(15)25/h1-11,25H,(H2,24,26,27)
InChIKeyARUYJUKHVNUTNP-UHFFFAOYSA-N
XLogP4.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(6-cyano-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridin-1-yl)phenyl]-2-hydroxybenzoic acid
CID 67052849
2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
CID 57391317
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
4-hydroxy-3-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 54678070
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-oxo-1H-cyclohepta[b]pyrrole-3-carbonitrile
CID 10080801
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
5-[(2,6-dimethylphenyl)diazenyl]-2-oxo-4,6-diphenyl-1H-quinoline-3-carbonitrile
CID 102170072
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
4-hydroxy-6-oxo-3-(4-prop-2-enoxyphenyl)-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 54689843

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile (CID 54746301) is 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)cccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is ARUYJUKHVNUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c23-12-17-21(26)20-16(5-3-6-18(20)24-22(17)27)14-10-8-13(9-11-14)15-4-1-2-7-19(15)25/h1-11,25H,(H2,24,26,27).
What are the key properties of 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 54746301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).