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

C26H32N2O — CID 4119732

IUPAC2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H32N2O/c1-17(2)15-28(16-18(3)4)26(29)23-14-25(21-12-11-19(5)13-20(21)6)27-24-10-8-7-9-22(23)24/h7-14,17-18H,15-16H2,1-6H3
InChIKeyPYLFAYJTJROVNT-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.27
Rot. Bonds6

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

2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 4119732) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
PubChem CID4119732
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H32N2O/c1-17(2)15-28(16-18(3)4)26(29)23-14-25(21-12-11-19(5)13-20(21)6)27-24-10-8-7-9-22(23)24/h7-14,17-18H,15-16H2,1-6H3
InChIKeyPYLFAYJTJROVNT-UHFFFAOYSA-N
XLogP6.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
CID 112794088
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide (CID 4119732) is 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is PYLFAYJTJROVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-17(2)15-28(16-18(3)4)26(29)23-14-25(21-12-11-19(5)13-20(21)6)27-24-10-8-7-9-22(23)24/h7-14,17-18H,15-16H2,1-6H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 4119732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).