(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone

C19H14N2O3 — CID 91824809

IUPAC(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C19H14N2O3/c1-24-12-6-7-17(22)15(9-12)18(23)11-8-14-13-4-2-3-5-16(13)21-19(14)20-10-11/h2-10,22H,1H3,(H,20,21)
InChIKeyVXJGEBHBMOMZDB-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.66
Rot. Bonds3

About (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone

(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone (PubChem CID 91824809) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone
PubChem CID91824809
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C19H14N2O3/c1-24-12-6-7-17(22)15(9-12)18(23)11-8-14-13-4-2-3-5-16(13)21-19(14)20-10-11/h2-10,22H,1H3,(H,20,21)
InChIKeyVXJGEBHBMOMZDB-UHFFFAOYSA-N
XLogP3.66
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)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 (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone (CID 91824809) is (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone is COc1ccc(O)c(C(=O)c2cnc3[nH]c4ccccc4c3c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone?
The InChIKey is VXJGEBHBMOMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-12-6-7-17(22)15(9-12)18(23)11-8-14-13-4-2-3-5-16(13)21-19(14)20-10-11/h2-10,22H,1H3,(H,20,21).
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(9H-pyrido[2,3-b]indol-3-yl)methanone is sourced from PubChem (CID 91824809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).