[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone

C27H15Cl2NO3 — CID 56689772

IUPAC[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C27H15Cl2NO3/c28-18-7-5-15(6-8-18)26(31)27-24(20-3-1-2-4-23(20)33-27)16-11-17-14-32-22-10-9-19(29)12-21(22)25(17)30-13-16/h1-13H,14H2
InChIKeyVCRJIFSMIFGVAN-UHFFFAOYSA-N
MW472.33 g/mol
LogP7.59
Rot. Bonds3

About [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone

[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone (PubChem CID 56689772) has the molecular formula C27H15Cl2NO3 and a molecular weight of 472.33 g/mol. Its IUPAC name is [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
PubChem CID56689772
Molecular FormulaC27H15Cl2NO3
Molecular Weight472.33 g/mol
Exact Mass471.04
IUPAC Name[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C27H15Cl2NO3/c28-18-7-5-15(6-8-18)26(31)27-24(20-3-1-2-4-23(20)33-27)16-11-17-14-32-22-10-9-19(29)12-21(22)25(17)30-13-16/h1-13H,14H2
InChIKeyVCRJIFSMIFGVAN-UHFFFAOYSA-N
XLogP7.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone 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 [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone (CID 56689772) is [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(Cl)cc1-2.
What is the InChIKey of [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The InChIKey is VCRJIFSMIFGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15Cl2NO3/c28-18-7-5-15(6-8-18)26(31)27-24(20-3-1-2-4-23(20)33-27)16-11-17-14-32-22-10-9-19(29)12-21(22)25(17)30-13-16/h1-13H,14H2.
What are the key properties of [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
[3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone has a molecular weight of 472.33 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9-chloro-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 56689772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).