N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

C49H40N4O2 — CID 4057293

IUPACN-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C49H40N4O2/c1-49(2,31-50-47(54)41-29-45(52-43-19-11-9-17-39(41)43)37-25-21-35(22-26-37)33-13-5-3-6-14-33)32-51-48(55)42-30-46(53-44-20-12-10-18-40(42)44)38-27-23-36(24-28-38)34-15-7-4-8-16-34/h3-30H,31-32H2,1-2H3,(H,50,54)(H,51,55)
InChIKeyXASCXIIWHMHESE-UHFFFAOYSA-N
MW716.89 g/mol
LogP10.64
Rot. Bonds10

About N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 4057293) has the molecular formula C49H40N4O2 and a molecular weight of 716.89 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID4057293
Molecular FormulaC49H40N4O2
Molecular Weight716.89 g/mol
Exact Mass716.32
IUPAC NameN-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C49H40N4O2/c1-49(2,31-50-47(54)41-29-45(52-43-19-11-9-17-39(41)43)37-25-21-35(22-26-37)33-13-5-3-6-14-33)32-51-48(55)42-30-46(53-44-20-12-10-18-40(42)44)38-27-23-36(24-28-38)34-15-7-4-8-16-34/h3-30H,31-32H2,1-2H3,(H,50,54)(H,51,55)
InChIKeyXASCXIIWHMHESE-UHFFFAOYSA-N
XLogP10.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 510.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55332232
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 4057293) is N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is CC(C)(CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)CNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is XASCXIIWHMHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4O2/c1-49(2,31-50-47(54)41-29-45(52-43-19-11-9-17-39(41)43)37-25-21-35(22-26-37)33-13-5-3-6-14-33)32-51-48(55)42-30-46(53-44-20-12-10-18-40(42)44)38-27-23-36(24-28-38)34-15-7-4-8-16-34/h3-30H,31-32H2,1-2H3,(H,50,54)(H,51,55).
What are the key properties of N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 716.89 g/mol, XLogP of 10.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).