2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C19H12FN3O — CID 45157884

IUPAC2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O/c20-13-6-3-11(4-7-13)16-14-8-5-12-2-1-9-23-17(12)18(14)24-19(22)15(16)10-21/h1-9,16H,22H2
InChIKeyGDWMWCZTIPYPRM-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.59
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 45157884) has the molecular formula C19H12FN3O and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID45157884
Molecular FormulaC19H12FN3O
Molecular Weight317.32 g/mol
Exact Mass317.10
IUPAC Name2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O/c20-13-6-3-11(4-7-13)16-14-8-5-12-2-1-9-23-17(12)18(14)24-19(22)15(16)10-21/h1-9,16H,22H2
InChIKeyGDWMWCZTIPYPRM-UHFFFAOYSA-N
XLogP3.59
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-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 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 45157884) is 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is GDWMWCZTIPYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O/c20-13-6-3-11(4-7-13)16-14-8-5-12-2-1-9-23-17(12)18(14)24-19(22)15(16)10-21/h1-9,16H,22H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 317.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 45157884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).