8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one

C24H14ClNO5 — CID 137200106

IUPAC8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2c(Cc3coc4ccc(Cl)cc4c3=O)c(O)ccc2cc1-c1ccccn1
InChIInChI=1S/C24H14ClNO5/c25-15-5-7-21-18(11-15)22(28)14(12-30-21)10-17-20(27)6-4-13-9-16(24(29)31-23(13)17)19-3-1-2-8-26-19/h1-9,11-12,27H,10H2
InChIKeyXVBXDIDGJYFGPY-UHFFFAOYSA-N
MW431.83 g/mol
LogP4.91
Rot. Bonds3

About 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one

8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one (PubChem CID 137200106) has the molecular formula C24H14ClNO5 and a molecular weight of 431.83 g/mol. Its IUPAC name is 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one
PubChem CID137200106
Molecular FormulaC24H14ClNO5
Molecular Weight431.83 g/mol
Exact Mass431.06
IUPAC Name8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2c(Cc3coc4ccc(Cl)cc4c3=O)c(O)ccc2cc1-c1ccccn1
InChIInChI=1S/C24H14ClNO5/c25-15-5-7-21-18(11-15)22(28)14(12-30-21)10-17-20(27)6-4-13-9-16(24(29)31-23(13)17)19-3-1-2-8-26-19/h1-9,11-12,27H,10H2
InChIKeyXVBXDIDGJYFGPY-UHFFFAOYSA-N
XLogP4.91
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one 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 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one (CID 137200106) is 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one is O=c1oc2c(Cc3coc4ccc(Cl)cc4c3=O)c(O)ccc2cc1-c1ccccn1.
What is the InChIKey of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?
The InChIKey is XVBXDIDGJYFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO5/c25-15-5-7-21-18(11-15)22(28)14(12-30-21)10-17-20(27)6-4-13-9-16(24(29)31-23(13)17)19-3-1-2-8-26-19/h1-9,11-12,27H,10H2.
What are the key properties of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?
8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one has a molecular weight of 431.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 137200106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).