6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide

C26H24N4O4 — CID 23857742

About 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide

6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (PubChem CID 23857742) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
• PubChem CID: 23857742
• Molecular Formula: C26H24N4O4
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.18
• IUPAC Name: 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)c(C)cc2[nH]c1=O
• InChI: InChI=1S/C26H24N4O4/c1-13-9-16-11-17(25(31)30-20(16)10-14(13)2)23-18(12-27)24(28)34-15(3)22(23)26(32)29-19-7-5-6-8-21(19)33-4/h5-11,23H,28H2,1-4H3,(H,29,32)(H,30,31)
• InChIKey: PYIQSOSBCDDLDE-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 130.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?

The IUPAC name of 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (CID 23857742) is 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.

What is the SMILES notation for 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?

The canonical SMILES for 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)c(C)cc2[nH]c1=O.

What is the InChIKey of 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?

The InChIKey is PYIQSOSBCDDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-13-9-16-11-17(25(31)30-20(16)10-14(13)2)23-18(12-27)24(28)34-15(3)22(23)26(32)29-19-7-5-6-8-21(19)33-4/h5-11,23H,28H2,1-4H3,(H,29,32)(H,30,31).

What are the key properties of 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?

6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 23857742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).