2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

C19H11F2N3O2 — CID 2844701

IUPAC2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H11F2N3O2/c20-12-6-5-9(7-13(12)21)15-11(8-22)18(23)26-17-10-3-1-2-4-14(10)24-19(25)16(15)17/h1-7,15H,23H2,(H,24,25)
InChIKeyISKRCILCNGJECN-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.02
Rot. Bonds1

About 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 2844701) has the molecular formula C19H11F2N3O2 and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID2844701
Molecular FormulaC19H11F2N3O2
Molecular Weight351.31 g/mol
Exact Mass351.08
IUPAC Name2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H11F2N3O2/c20-12-6-5-9(7-13(12)21)15-11(8-22)18(23)26-17-10-3-1-2-4-14(10)24-19(25)16(15)17/h1-7,15H,23H2,(H,24,25)
InChIKeyISKRCILCNGJECN-UHFFFAOYSA-N
XLogP3.02
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]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-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (CID 2844701) is 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is ISKRCILCNGJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2/c20-12-6-5-9(7-13(12)21)15-11(8-22)18(23)26-17-10-3-1-2-4-14(10)24-19(25)16(15)17/h1-7,15H,23H2,(H,24,25).
What are the key properties of 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 351.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 2844701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).