1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol

C17H11ClN2O — CID 11044625

IUPAC1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2ccc(Cl)cc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H11ClN2O/c18-11-7-5-10(6-8-11)16-15-12-3-1-2-4-13(12)20-17(15)14(21)9-19-16/h1-9,20-21H
InChIKeyBMDCPNKPQOAGQX-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.74
Rot. Bonds1

About 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol

1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol (PubChem CID 11044625) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol
PubChem CID11044625
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2ccc(Cl)cc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H11ClN2O/c18-11-7-5-10(6-8-11)16-15-12-3-1-2-4-13(12)20-17(15)14(21)9-19-16/h1-9,20-21H
InChIKeyBMDCPNKPQOAGQX-UHFFFAOYSA-N
XLogP4.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol 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 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol?
The IUPAC name of 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol (CID 11044625) is 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol?
The canonical SMILES for 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol is Oc1cnc(-c2ccc(Cl)cc2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol?
The InChIKey is BMDCPNKPQOAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-11-7-5-10(6-8-11)16-15-12-3-1-2-4-13(12)20-17(15)14(21)9-19-16/h1-9,20-21H.
What are the key properties of 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol?
1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol has a molecular weight of 294.74 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol is sourced from PubChem (CID 11044625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).