7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one

C17H10ClNO2 — CID 23003309

IUPAC7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one
SMILESO=c1cc2c([nH]c3cc(Cl)ccc32)c(-c2ccccc2)o1
InChIInChI=1S/C17H10ClNO2/c18-11-6-7-12-13-9-15(20)21-17(10-4-2-1-3-5-10)16(13)19-14(12)8-11/h1-9,19H
InChIKeyCDSXOSUFHLTHFZ-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.59
Rot. Bonds1

About 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one

7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one (PubChem CID 23003309) has the molecular formula C17H10ClNO2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one.

Molecular Properties

Compound Name7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one
PubChem CID23003309
Molecular FormulaC17H10ClNO2
Molecular Weight295.73 g/mol
Exact Mass295.04
IUPAC Name7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one
SMILESO=c1cc2c([nH]c3cc(Cl)ccc32)c(-c2ccccc2)o1
InChIInChI=1S/C17H10ClNO2/c18-11-6-7-12-13-9-15(20)21-17(10-4-2-1-3-5-10)16(13)19-14(12)8-11/h1-9,19H
InChIKeyCDSXOSUFHLTHFZ-UHFFFAOYSA-N
XLogP4.59
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-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 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one?
The IUPAC name of 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one (CID 23003309) is 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one.
What is the SMILES notation for 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one?
The canonical SMILES for 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one is O=c1cc2c([nH]c3cc(Cl)ccc32)c(-c2ccccc2)o1.
What is the InChIKey of 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one?
The InChIKey is CDSXOSUFHLTHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2/c18-11-6-7-12-13-9-15(20)21-17(10-4-2-1-3-5-10)16(13)19-14(12)8-11/h1-9,19H.
What are the key properties of 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one?
7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one has a molecular weight of 295.73 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenyl-9H-pyrano[3,4-b]indol-3-one is sourced from PubChem (CID 23003309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).