[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride

C19H18ClN3O — CID 5387928

IUPAC[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride
SMILESCl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12
InChIInChI=1S/C19H17N3O.ClH/c23-12-15-9-17-16-8-14(20-10-13-4-2-1-3-5-13)6-7-18(16)22-19(17)11-21-15;/h1-9,11,20,22-23H,10,12H2;1H
InChIKeyNAKVSEBDMHQYMA-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.24
Rot. Bonds4

About [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride

[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride (PubChem CID 5387928) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride
PubChem CID5387928
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride
SMILESCl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12
InChIInChI=1S/C19H17N3O.ClH/c23-12-15-9-17-16-8-14(20-10-13-4-2-1-3-5-13)6-7-18(16)22-19(17)11-21-15;/h1-9,11,20,22-23H,10,12H2;1H
InChIKeyNAKVSEBDMHQYMA-UHFFFAOYSA-N
XLogP4.24
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridindolol
CID 5358591
3-Hydroxymethyl-beta-carboline
CID 5353338
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Cordysinin C/D
CID 10899924
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 5387929
Nicalaterine A
CID 54580815
3-(1H-Indol-4-yl)-5-[(pyridin-3-yl)amino]phenol
CID 15604188
US10660877, Example 19
CID 134329650
US10660877, Example 22
CID 134329793
6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-
CID 355814
9H-Pyrido[3,4-B]indole-1-methanol
CID 5318284

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride?
The IUPAC name of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride (CID 5387928) is [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride.
What is the SMILES notation for [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride?
The canonical SMILES for [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride is Cl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12.
What is the InChIKey of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride?
The InChIKey is NAKVSEBDMHQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.ClH/c23-12-15-9-17-16-8-14(20-10-13-4-2-1-3-5-13)6-7-18(16)22-19(17)11-21-15;/h1-9,11,20,22-23H,10,12H2;1H.
What are the key properties of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride?
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol;hydrochloride is sourced from PubChem (CID 5387928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).