1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol

C16H15N3O — CID 163422817

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol
SMILESCc1cc2[nH]c3c(C4=NCCC4)nccc3c2cc1O
InChIInChI=1S/C16H15N3O/c1-9-7-13-11(8-14(9)20)10-4-6-18-16(15(10)19-13)12-3-2-5-17-12/h4,6-8,19-20H,2-3,5H2,1H3
InChIKeyAJXFUBJFRGJFQK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.31
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol

1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol (PubChem CID 163422817) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol
PubChem CID163422817
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol
SMILESCc1cc2[nH]c3c(C4=NCCC4)nccc3c2cc1O
InChIInChI=1S/C16H15N3O/c1-9-7-13-11(8-14(9)20)10-4-6-18-16(15(10)19-13)12-3-2-5-17-12/h4,6-8,19-20H,2-3,5H2,1H3
InChIKeyAJXFUBJFRGJFQK-UHFFFAOYSA-N
XLogP3.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol (CID 163422817) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol is Cc1cc2[nH]c3c(C4=NCCC4)nccc3c2cc1O.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol?
The InChIKey is AJXFUBJFRGJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-9-7-13-11(8-14(9)20)10-4-6-18-16(15(10)19-13)12-3-2-5-17-12/h4,6-8,19-20H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol?
1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol has a molecular weight of 265.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 163422817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).