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

C20H14ClN3O2 — CID 4919909

IUPAC2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1cccc(Cl)c1
InChIInChI=1S/C20H14ClN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,16H,23H2,1H3
InChIKeyHLACOBOOFPWQBV-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.41
Rot. Bonds1

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

2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4919909) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4919909
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1cccc(Cl)c1
InChIInChI=1S/C20H14ClN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,16H,23H2,1H3
InChIKeyHLACOBOOFPWQBV-UHFFFAOYSA-N
XLogP3.41
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4919909) is 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is HLACOBOOFPWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,16H,23H2,1H3.
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 363.80 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4919909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).