6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide

C24H18Cl2N4O2 — CID 23908247

IUPAC6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cc3cc(C)ccc3nc2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C24H18Cl2N4O2/c1-12-3-8-19-14(9-12)10-17(22(26)30-19)21-18(11-27)23(28)32-13(2)20(21)24(31)29-16-6-4-15(25)5-7-16/h3-10,21H,28H2,1-2H3,(H,29,31)
InChIKeyYBWZZMZMOKQWCY-UHFFFAOYSA-N
MW465.34 g/mol
LogP5.57
Rot. Bonds3

About 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide

6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide (PubChem CID 23908247) has the molecular formula C24H18Cl2N4O2 and a molecular weight of 465.34 g/mol. Its IUPAC name is 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
PubChem CID23908247
Molecular FormulaC24H18Cl2N4O2
Molecular Weight465.34 g/mol
Exact Mass464.08
IUPAC Name6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cc3cc(C)ccc3nc2Cl)C(C#N)=C(N)O1
InChIInChI=1S/C24H18Cl2N4O2/c1-12-3-8-19-14(9-12)10-17(22(26)30-19)21-18(11-27)23(28)32-13(2)20(21)24(31)29-16-6-4-15(25)5-7-16/h3-10,21H,28H2,1-2H3,(H,29,31)
InChIKeyYBWZZMZMOKQWCY-UHFFFAOYSA-N
XLogP5.57
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.34
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-acetyl-2-amino-4-(2-chloro-6-methylquinolin-3-yl)-6-methyl-4H-pyran-3-carbonitrile
CID 3514864
(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 1132011
6-amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 3346478
ethyl 6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3141895
ethyl (4R)-6-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1130175
ethyl 6-amino-4-(2-chloro-6,7-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3168008
6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
CID 3577538
2-methoxyethyl 6-amino-4-(2-chloro-6,7-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3170408
methyl (4S)-6-amino-4-(2-chloro-6,8-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1151154
(4S)-5-acetyl-2-amino-4-(2-chloro-6,8-dimethylquinolin-3-yl)-6-methyl-4H-pyran-3-carbonitrile
CID 1140197
(4S)-6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-methyl-N-phenyl-4H-pyran-3-carboxamide
CID 8610939
ethyl (4S)-6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylate
CID 1130170

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide?
The IUPAC name of 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide (CID 23908247) is 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide.
What is the SMILES notation for 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide?
The canonical SMILES for 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cc3cc(C)ccc3nc2Cl)C(C#N)=C(N)O1.
What is the InChIKey of 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide?
The InChIKey is YBWZZMZMOKQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O2/c1-12-3-8-19-14(9-12)10-17(22(26)30-19)21-18(11-27)23(28)32-13(2)20(21)24(31)29-16-6-4-15(25)5-7-16/h3-10,21H,28H2,1-2H3,(H,29,31).
What are the key properties of 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide?
6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide has a molecular weight of 465.34 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 23908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).