N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

C19H17N3O — CID 56680109

IUPACN-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C19H17N3O/c1-23-18-9-5-2-6-13(18)11-20-19-10-15-14-7-3-4-8-16(14)22-17(15)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyMCSGVPHBFCZHBA-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine

N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 56680109) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
PubChem CID56680109
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C19H17N3O/c1-23-18-9-5-2-6-13(18)11-20-19-10-15-14-7-3-4-8-16(14)22-17(15)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyMCSGVPHBFCZHBA-UHFFFAOYSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine 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 N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine (CID 56680109) is N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is COc1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is MCSGVPHBFCZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-18-9-5-2-6-13(18)11-20-19-10-15-14-7-3-4-8-16(14)22-17(15)12-21-19/h2-10,12,22H,11H2,1H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine?
N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 56680109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).