N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

C28H32N2O — CID 995074

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H32N2O/c1-20(2)18-22-12-14-23(15-13-22)27-19-25(24-10-6-7-11-26(24)30-27)28(31)29-17-16-21-8-4-3-5-9-21/h6-8,10-15,19-20H,3-5,9,16-18H2,1-2H3,(H,29,31)
InChIKeyFIEQFOPMPLCCAI-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.72
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (PubChem CID 995074) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
PubChem CID995074
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H32N2O/c1-20(2)18-22-12-14-23(15-13-22)27-19-25(24-10-6-7-11-26(24)30-27)28(31)29-17-16-21-8-4-3-5-9-21/h6-8,10-15,19-20H,3-5,9,16-18H2,1-2H3,(H,29,31)
InChIKeyFIEQFOPMPLCCAI-UHFFFAOYSA-N
XLogP6.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1000937
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 20868521
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (CID 995074) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is CC(C)Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The InChIKey is FIEQFOPMPLCCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-20(2)18-22-12-14-23(15-13-22)27-19-25(24-10-6-7-11-26(24)30-27)28(31)29-17-16-21-8-4-3-5-9-21/h6-8,10-15,19-20H,3-5,9,16-18H2,1-2H3,(H,29,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 995074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).