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

C20H13ClFN3O2 — CID 4920277

IUPAC2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O2/c1-25-14-8-3-2-5-10(14)18-17(20(25)26)15(11(9-23)19(24)27-18)16-12(21)6-4-7-13(16)22/h2-8,15H,24H2,1H3
InChIKeyXWNUBHNOHCHNLQ-UHFFFAOYSA-N
MW381.79 g/mol
LogP3.55
Rot. Bonds1

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

2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4920277) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4920277
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O2/c1-25-14-8-3-2-5-10(14)18-17(20(25)26)15(11(9-23)19(24)27-18)16-12(21)6-4-7-13(16)22/h2-8,15H,24H2,1H3
InChIKeyXWNUBHNOHCHNLQ-UHFFFAOYSA-N
XLogP3.55
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4920277) is 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1c(F)cccc1Cl.
What is the InChIKey of 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is XWNUBHNOHCHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c1-25-14-8-3-2-5-10(14)18-17(20(25)26)15(11(9-23)19(24)27-18)16-12(21)6-4-7-13(16)22/h2-8,15H,24H2,1H3.
What are the key properties of 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 381.79 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-6-fluorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4920277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).