7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol

C22H14ClNO3 — CID 135461031

IUPAC7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESOc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO3/c23-13-3-1-12(2-4-13)21-17-9-14(25)6-8-19(17)24-22-16-7-5-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2
InChIKeyBHOKKMXDSDEPGG-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.53
Rot. Bonds1

About 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol

7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol (PubChem CID 135461031) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
PubChem CID135461031
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESOc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO3/c23-13-3-1-12(2-4-13)21-17-9-14(25)6-8-19(17)24-22-16-7-5-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2
InChIKeyBHOKKMXDSDEPGG-UHFFFAOYSA-N
XLogP5.53
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol 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 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The IUPAC name of 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol (CID 135461031) is 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol.
What is the SMILES notation for 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The canonical SMILES for 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol is Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The InChIKey is BHOKKMXDSDEPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-13-3-1-12(2-4-13)21-17-9-14(25)6-8-19(17)24-22-16-7-5-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2.
What are the key properties of 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol has a molecular weight of 375.81 g/mol, XLogP of 5.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol is sourced from PubChem (CID 135461031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).