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

C19H17N3O — CID 5387929

IUPAC[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12
InChIInChI=1S/C19H17N3O/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
InChIKeyPCESGKMKSBKSOT-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.82
Rot. Bonds4

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

[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 5387929) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
PubChem CID5387929
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12
InChIInChI=1S/C19H17N3O/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
InChIKeyPCESGKMKSBKSOT-UHFFFAOYSA-N
XLogP3.82
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol (CID 5387929) is [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol is OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12.
What is the InChIKey of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is PCESGKMKSBKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/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.
What are the key properties of [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol?
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 303.37 g/mol, XLogP of 3.82, 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 is sourced from PubChem (CID 5387929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).