N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide

C26H24Cl2N4O2 — CID 23829934

About N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide

N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide (PubChem CID 23829934) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide
• PubChem CID: 23829934
• Molecular Formula: C26H24Cl2N4O2
• Molecular Weight: 495.41 g/mol
• Exact Mass: 494.13
• IUPAC Name: N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NN2C(N)=C(C#N)C(c3cccc(Cl)c3Cl)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C26H24Cl2N4O2/c1-14-7-9-15(10-8-14)25(34)31-32-19-11-26(2,3)12-20(33)22(19)21(17(13-29)24(32)30)16-5-4-6-18(27)23(16)28/h4-10,21H,11-12,30H2,1-3H3,(H,31,34)
• InChIKey: HCIZTVHMGPSNNN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 99.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.41
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide?

The IUPAC name of N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide (CID 23829934) is N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide.

What is the SMILES notation for N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide?

The canonical SMILES for N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)NN2C(N)=C(C#N)C(c3cccc(Cl)c3Cl)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide?

The InChIKey is HCIZTVHMGPSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c1-14-7-9-15(10-8-14)25(34)31-32-19-11-26(2,3)12-20(33)22(19)21(17(13-29)24(32)30)16-5-4-6-18(27)23(16)28/h4-10,21H,11-12,30H2,1-3H3,(H,31,34).

What are the key properties of N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide?

N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide has a molecular weight of 495.41 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 23829934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).