8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one

C24H14ClNO2 — CID 102129300

IUPAC8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one
SMILESO=c1ccc2c(ccc3nc(-c4ccc(Cl)cc4)cc(-c4ccccc4)c32)o1
InChIInChI=1S/C24H14ClNO2/c25-17-8-6-16(7-9-17)21-14-19(15-4-2-1-3-5-15)24-18-10-13-23(27)28-22(18)12-11-20(24)26-21/h1-14H
InChIKeyPQFUUXJDFATPKT-UHFFFAOYSA-N
MW383.83 g/mol
LogP6.33
Rot. Bonds2

About 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one

8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one (PubChem CID 102129300) has the molecular formula C24H14ClNO2 and a molecular weight of 383.83 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one
PubChem CID102129300
Molecular FormulaC24H14ClNO2
Molecular Weight383.83 g/mol
Exact Mass383.07
IUPAC Name8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one
SMILESO=c1ccc2c(ccc3nc(-c4ccc(Cl)cc4)cc(-c4ccccc4)c32)o1
InChIInChI=1S/C24H14ClNO2/c25-17-8-6-16(7-9-17)21-14-19(15-4-2-1-3-5-15)24-18-10-13-23(27)28-22(18)12-11-20(24)26-21/h1-14H
InChIKeyPQFUUXJDFATPKT-UHFFFAOYSA-N
XLogP6.33
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
CID 166569146
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569171
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568788
8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
CID 135017230
2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one
CID 86105957
5-phenylchromen-2-one
CID 90255348
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
CID 166569139

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one?
The IUPAC name of 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one (CID 102129300) is 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one.
What is the SMILES notation for 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one?
The canonical SMILES for 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one is O=c1ccc2c(ccc3nc(-c4ccc(Cl)cc4)cc(-c4ccccc4)c32)o1.
What is the InChIKey of 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one?
The InChIKey is PQFUUXJDFATPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO2/c25-17-8-6-16(7-9-17)21-14-19(15-4-2-1-3-5-15)24-18-10-13-23(27)28-22(18)12-11-20(24)26-21/h1-14H.
What are the key properties of 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one?
8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one has a molecular weight of 383.83 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one is sourced from PubChem (CID 102129300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).