(2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C30H24Cl4N4O2 — CID 98063597

About (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

(2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 98063597) has the molecular formula C30H24Cl4N4O2 and a molecular weight of 614.36 g/mol. Its IUPAC name is (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
• PubChem CID: 98063597
• Molecular Formula: C30H24Cl4N4O2
• Molecular Weight: 614.36 g/mol
• Exact Mass: 612.07
• IUPAC Name: (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
• SMILES: C[C@@H]1C[C@@H](N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C30H24Cl4N4O2/c1-18-15-28(38(21-7-3-2-4-8-21)30(40)36-20-12-14-24(32)26(34)17-20)22-9-5-6-10-27(22)37(18)29(39)35-19-11-13-23(31)25(33)16-19/h2-14,16-18,28H,15H2,1H3,(H,35,39)(H,36,40)/t18-,28-/m1/s1
• InChIKey: BIXLIJZSQGPBMN-KWMCUTETSA-N
• XLogP: 9.91
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.36
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?

The IUPAC name of (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 98063597) is (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

What is the SMILES notation for (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?

The canonical SMILES for (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is C[C@@H]1C[C@@H](N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1.

What is the InChIKey of (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?

The InChIKey is BIXLIJZSQGPBMN-KWMCUTETSA-N. The full InChI is InChI=1S/C30H24Cl4N4O2/c1-18-15-28(38(21-7-3-2-4-8-21)30(40)36-20-12-14-24(32)26(34)17-20)22-9-5-6-10-27(22)37(18)29(39)35-19-11-13-23(31)25(33)16-19/h2-14,16-18,28H,15H2,1H3,(H,35,39)(H,36,40)/t18-,28-/m1/s1.

What are the key properties of (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?

(2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 614.36 g/mol, XLogP of 9.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 98063597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).