(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone

C20H13N3O3 — CID 636664

IUPAC(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H
InChIKeyOATSYJQLKPRTBO-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.84
Rot. Bonds2

About (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone

(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 636664) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID636664
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H
InChIKeyOATSYJQLKPRTBO-UHFFFAOYSA-N
XLogP3.84
TPSA102.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone (CID 636664) is (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone is O=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is OATSYJQLKPRTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H.
What are the key properties of (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
(5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 343.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 636664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).