N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

C27H25N3O2 — CID 32849375

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-17-12-13-21(18(2)14-17)25-16-23(22-10-5-6-11-24(22)29-25)26(31)28-20-9-7-8-19(15-20)27(32)30(3)4/h5-16H,1-4H3,(H,28,31)
InChIKeyMMKYWPIXWBYNND-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.47
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 32849375) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID32849375
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-17-12-13-21(18(2)14-17)25-16-23(22-10-5-6-11-24(22)29-25)26(31)28-20-9-7-8-19(15-20)27(32)30(3)4/h5-16H,1-4H3,(H,28,31)
InChIKeyMMKYWPIXWBYNND-UHFFFAOYSA-N
XLogP5.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
2-(2,4-dimethylphenyl)-N-[(E)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17337917
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 26243054
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
CID 994737

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 32849375) is N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is MMKYWPIXWBYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-12-13-21(18(2)14-17)25-16-23(22-10-5-6-11-24(22)29-25)26(31)28-20-9-7-8-19(15-20)27(32)30(3)4/h5-16H,1-4H3,(H,28,31).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 32849375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).