N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C26H28N2O3 — CID 1000937

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H28N2O3/c1-30-24-13-12-19(16-25(24)31-2)23-17-21(20-10-6-7-11-22(20)28-23)26(29)27-15-14-18-8-4-3-5-9-18/h6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,27,29)
InChIKeyQSOJNDUGTOJYEI-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.54
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1000937) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1000937
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H28N2O3/c1-30-24-13-12-19(16-25(24)31-2)23-17-21(20-10-6-7-11-22(20)28-23)26(29)27-15-14-18-8-4-3-5-9-18/h6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,27,29)
InChIKeyQSOJNDUGTOJYEI-UHFFFAOYSA-N
XLogP5.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 995074
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1000937) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QSOJNDUGTOJYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-24-13-12-19(16-25(24)31-2)23-17-21(20-10-6-7-11-22(20)28-23)26(29)27-15-14-18-8-4-3-5-9-18/h6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1000937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).