N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

C32H42N2O — CID 4287408

IUPACN-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)NC3CCCCCCCCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C32H42N2O/c1-24(2)22-25-18-20-26(21-19-25)31-23-29(28-16-12-13-17-30(28)34-31)32(35)33-27-14-10-8-6-4-3-5-7-9-11-15-27/h12-13,16-21,23-24,27H,3-11,14-15,22H2,1-2H3,(H,33,35)
InChIKeyGRSIQHSPKJGESO-UHFFFAOYSA-N
MW470.70 g/mol
LogP8.50
Rot. Bonds5

About N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (PubChem CID 4287408) has the molecular formula C32H42N2O and a molecular weight of 470.70 g/mol. Its IUPAC name is N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
PubChem CID4287408
Molecular FormulaC32H42N2O
Molecular Weight470.70 g/mol
Exact Mass470.33
IUPAC NameN-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)NC3CCCCCCCCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C32H42N2O/c1-24(2)22-25-18-20-26(21-19-25)31-23-29(28-16-12-13-17-30(28)34-31)32(35)33-27-14-10-8-6-4-3-5-7-9-11-15-27/h12-13,16-21,23-24,27H,3-11,14-15,22H2,1-2H3,(H,33,35)
InChIKeyGRSIQHSPKJGESO-UHFFFAOYSA-N
XLogP8.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 995074
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (CID 4287408) is N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is CC(C)Cc1ccc(-c2cc(C(=O)NC3CCCCCCCCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The InChIKey is GRSIQHSPKJGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O/c1-24(2)22-25-18-20-26(21-19-25)31-23-29(28-16-12-13-17-30(28)34-31)32(35)33-27-14-10-8-6-4-3-5-7-9-11-15-27/h12-13,16-21,23-24,27H,3-11,14-15,22H2,1-2H3,(H,33,35).
What are the key properties of N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide has a molecular weight of 470.70 g/mol, XLogP of 8.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4287408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).