4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile

C13H14N6O — CID 118481602

IUPAC4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile
SMILESN#CC1N=C(N)N=C(N2CCCc3ccccc32)N1O
InChIInChI=1S/C13H14N6O/c14-8-11-16-12(15)17-13(19(11)20)18-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,11,20H,3,5,7H2,(H2,15,16)
InChIKeyQGQIZGJLVULVKJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.66
Rot. Bonds

About 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile

4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile (PubChem CID 118481602) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile
PubChem CID118481602
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile
SMILESN#CC1N=C(N)N=C(N2CCCc3ccccc32)N1O
InChIInChI=1S/C13H14N6O/c14-8-11-16-12(15)17-13(19(11)20)18-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,11,20H,3,5,7H2,(H2,15,16)
InChIKeyQGQIZGJLVULVKJ-UHFFFAOYSA-N
XLogP0.66
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-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-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile (CID 118481602) is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile is N#CC1N=C(N)N=C(N2CCCc3ccccc32)N1O.
What is the InChIKey of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile?
The InChIKey is QGQIZGJLVULVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-8-11-16-12(15)17-13(19(11)20)18-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,11,20H,3,5,7H2,(H2,15,16).
What are the key properties of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile?
4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 118481602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).