10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile

C24H16N4O3 — CID 155295467

IUPAC10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccc(O)cc1)C1NC(=O)N(c3ccccc3)C(=O)C1=C2
InChIInChI=1S/C24H16N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,22,29H,(H,26,31)
InChIKeyCYBJZTICJMBGBC-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.88
Rot. Bonds2

About 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile

10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile (PubChem CID 155295467) has the molecular formula C24H16N4O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile
PubChem CID155295467
Molecular FormulaC24H16N4O3
Molecular Weight408.42 g/mol
Exact Mass408.12
IUPAC Name10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccc(O)cc1)C1NC(=O)N(c3ccccc3)C(=O)C1=C2
InChIInChI=1S/C24H16N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,22,29H,(H,26,31)
InChIKeyCYBJZTICJMBGBC-UHFFFAOYSA-N
XLogP3.88
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile?
The IUPAC name of 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile (CID 155295467) is 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile.
What is the SMILES notation for 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile?
The canonical SMILES for 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile is N#Cc1ccc2c(c1)N(c1ccc(O)cc1)C1NC(=O)N(c3ccccc3)C(=O)C1=C2.
What is the InChIKey of 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile?
The InChIKey is CYBJZTICJMBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,22,29H,(H,26,31).
What are the key properties of 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile?
10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile has a molecular weight of 408.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxyphenyl)-2,4-dioxo-3-phenyl-1,10a-dihydropyrimido[4,5-b]quinoline-8-carbonitrile is sourced from PubChem (CID 155295467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).