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

C21H17N3O3 — CID 14168965

IUPAC2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C21H17N3O3/c1-24-16-6-4-3-5-14(16)19-18(21(24)25)17(15(11-22)20(23)27-19)12-7-9-13(26-2)10-8-12/h3-10,17H,23H2,1-2H3
InChIKeyMFFUVSXDMCALTO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.77
Rot. Bonds2

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

2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 14168965) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID14168965
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C21H17N3O3/c1-24-16-6-4-3-5-14(16)19-18(21(24)25)17(15(11-22)20(23)27-19)12-7-9-13(26-2)10-8-12/h3-10,17H,23H2,1-2H3
InChIKeyMFFUVSXDMCALTO-UHFFFAOYSA-N
XLogP2.77
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 14168965) is 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is MFFUVSXDMCALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-24-16-6-4-3-5-14(16)19-18(21(24)25)17(15(11-22)20(23)27-19)12-7-9-13(26-2)10-8-12/h3-10,17H,23H2,1-2H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 14168965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).