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

C23H21N3O5 — CID 4906661

IUPAC2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5/c1-26-15-8-6-5-7-13(15)20-19(23(26)27)18(14(11-24)22(25)31-20)12-9-16(28-2)21(30-4)17(10-12)29-3/h5-10,18H,25H2,1-4H3
InChIKeyKNIBGNAAQNMWTM-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.78
Rot. Bonds4

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

2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4906661) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4906661
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5/c1-26-15-8-6-5-7-13(15)20-19(23(26)27)18(14(11-24)22(25)31-20)12-9-16(28-2)21(30-4)17(10-12)29-3/h5-10,18H,25H2,1-4H3
InChIKeyKNIBGNAAQNMWTM-UHFFFAOYSA-N
XLogP2.78
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4906661) is 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile is COc1cc(C2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is KNIBGNAAQNMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-26-15-8-6-5-7-13(15)20-19(23(26)27)18(14(11-24)22(25)31-20)12-9-16(28-2)21(30-4)17(10-12)29-3/h5-10,18H,25H2,1-4H3.
What are the key properties of 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 419.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4906661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).