4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile

C16H15N3O — CID 114337657

IUPAC4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC(O)c3ccccc32)ccn1
InChIInChI=1S/C16H15N3O/c17-10-13-9-12(5-7-18-13)11-19-8-6-16(20)14-3-1-2-4-15(14)19/h1-5,7,9,16,20H,6,8,11H2
InChIKeyYJURQIIJBIFANK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.40
Rot. Bonds2

About 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile

4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 114337657) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID114337657
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC(O)c3ccccc32)ccn1
InChIInChI=1S/C16H15N3O/c17-10-13-9-12(5-7-18-13)11-19-8-6-16(20)14-3-1-2-4-15(14)19/h1-5,7,9,16,20H,6,8,11H2
InChIKeyYJURQIIJBIFANK-UHFFFAOYSA-N
XLogP2.40
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile (CID 114337657) is 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(CN2CCC(O)c3ccccc32)ccn1.
What is the InChIKey of 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is YJURQIIJBIFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-13-9-12(5-7-18-13)11-19-8-6-16(20)14-3-1-2-4-15(14)19/h1-5,7,9,16,20H,6,8,11H2.
What are the key properties of 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 114337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).