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

C22H19N3O4 — CID 4911349

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC
InChIInChI=1S/C22H19N3O4/c1-25-15-7-5-4-6-13(15)20-19(22(25)26)18(14(11-23)21(24)29-20)12-8-9-16(27-2)17(10-12)28-3/h4-10,18H,24H2,1-3H3
InChIKeyLRFJWNZABOKDSH-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.77
Rot. Bonds3

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

2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4911349) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4911349
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC
InChIInChI=1S/C22H19N3O4/c1-25-15-7-5-4-6-13(15)20-19(22(25)26)18(14(11-23)21(24)29-20)12-8-9-16(27-2)17(10-12)28-3/h4-10,18H,24H2,1-3H3
InChIKeyLRFJWNZABOKDSH-UHFFFAOYSA-N
XLogP2.77
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4911349) is 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is LRFJWNZABOKDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-25-15-7-5-4-6-13(15)20-19(22(25)26)18(14(11-23)21(24)29-20)12-8-9-16(27-2)17(10-12)28-3/h4-10,18H,24H2,1-3H3.
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 389.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4911349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).