1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline

C12H12N2O — CID 88763109

IUPAC1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline
SMILESON1C=CCC2=CC3=CC=CNC3C=C21
InChIInChI=1S/C12H12N2O/c15-14-6-2-4-10-7-9-3-1-5-13-11(9)8-12(10)14/h1-3,5-8,11,13,15H,4H2
InChIKeySCAFLNPYGZOFEY-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds

About 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline

1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline (PubChem CID 88763109) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline.

Molecular Properties

Compound Name1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline
PubChem CID88763109
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline
SMILESON1C=CCC2=CC3=CC=CNC3C=C21
InChIInChI=1S/C12H12N2O/c15-14-6-2-4-10-7-9-3-1-5-13-11(9)8-12(10)14/h1-3,5-8,11,13,15H,4H2
InChIKeySCAFLNPYGZOFEY-UHFFFAOYSA-N
XLogP1.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline?
The IUPAC name of 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline (CID 88763109) is 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline.
What is the SMILES notation for 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline?
The canonical SMILES for 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline is ON1C=CCC2=CC3=CC=CNC3C=C21.
What is the InChIKey of 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline?
The InChIKey is SCAFLNPYGZOFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-14-6-2-4-10-7-9-3-1-5-13-11(9)8-12(10)14/h1-3,5-8,11,13,15H,4H2.
What are the key properties of 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline?
1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline has a molecular weight of 200.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9,9a-dihydro-4H-pyrido[3,2-g]quinoline is sourced from PubChem (CID 88763109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).