N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide

C22H24N2O — CID 765637

IUPACN-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H24N2O/c1-14(2)11-17-13-19(18-7-5-6-8-21(18)23-17)22(25)24-20-10-9-15(3)12-16(20)4/h5-10,12-14H,11H2,1-4H3,(H,24,25)
InChIKeyYEMLIEPPACBKMX-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.30
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide

N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 765637) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID765637
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H24N2O/c1-14(2)11-17-13-19(18-7-5-6-8-21(18)23-17)22(25)24-20-10-9-15(3)12-16(20)4/h5-10,12-14H,11H2,1-4H3,(H,24,25)
InChIKeyYEMLIEPPACBKMX-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 123132663
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide (CID 765637) is N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is YEMLIEPPACBKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-14(2)11-17-13-19(18-7-5-6-8-21(18)23-17)22(25)24-20-10-9-15(3)12-16(20)4/h5-10,12-14H,11H2,1-4H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 765637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).