2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

C20H14FN3O2 — CID 4920272

IUPAC2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-24-15-5-3-2-4-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-6-8-12(21)9-7-11/h2-9,16H,23H2,1H3
InChIKeyCXHDBZSZQKGNKB-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.90
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4920272) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4920272
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-24-15-5-3-2-4-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-6-8-12(21)9-7-11/h2-9,16H,23H2,1H3
InChIKeyCXHDBZSZQKGNKB-UHFFFAOYSA-N
XLogP2.90
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4920272) is 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is CXHDBZSZQKGNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-24-15-5-3-2-4-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-6-8-12(21)9-7-11/h2-9,16H,23H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).