N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide

C26H31N3O — CID 20854533

IUPACN-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H31N3O/c1-18-14-15-23(19(2)16-18)28-25-17-22(21-12-8-9-13-24(21)29-25)26(30)27-20-10-6-4-3-5-7-11-20/h8-9,12-17,20H,3-7,10-11H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKBGWHCSEZNHJAH-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.44
Rot. Bonds4

About N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide

N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide (PubChem CID 20854533) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
PubChem CID20854533
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H31N3O/c1-18-14-15-23(19(2)16-18)28-25-17-22(21-12-8-9-13-24(21)29-25)26(30)27-20-10-6-4-3-5-7-11-20/h8-9,12-17,20H,3-7,10-11H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKBGWHCSEZNHJAH-UHFFFAOYSA-N
XLogP6.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 20854538
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
CID 20854511
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide (CID 20854533) is N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The InChIKey is KBGWHCSEZNHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-18-14-15-23(19(2)16-18)28-25-17-22(21-12-8-9-13-24(21)29-25)26(30)27-20-10-6-4-3-5-7-11-20/h8-9,12-17,20H,3-7,10-11H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 6.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).