N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane

C27H38N2O2 — CID 173251372

IUPACN-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
SMILESC.C.O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)C1CCCCCCC1
InChIInChI=1S/C25H30N2O2.2CH4/c28-24(20-12-4-2-1-3-5-13-20)26-22-16-8-7-15-21(22)25(29)27-18-10-14-19-11-6-9-17-23(19)27;;/h6-9,11,15-17,20H,1-5,10,12-14,18H2,(H,26,28);2*1H4
InChIKeyUGWXPLUOBCZYED-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.85
Rot. Bonds3

About N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane

N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane (PubChem CID 173251372) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
PubChem CID173251372
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
SMILESC.C.O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)C1CCCCCCC1
InChIInChI=1S/C25H30N2O2.2CH4/c28-24(20-12-4-2-1-3-5-13-20)26-22-16-8-7-15-21(22)25(29)27-18-10-14-19-11-6-9-17-23(19)27;;/h6-9,11,15-17,20H,1-5,10,12-14,18H2,(H,26,28);2*1H4
InChIKeyUGWXPLUOBCZYED-UHFFFAOYSA-N
XLogP6.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26385714
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane (CID 173251372) is N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane is C.C.O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)C1CCCCCCC1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane?
The InChIKey is UGWXPLUOBCZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.2CH4/c28-24(20-12-4-2-1-3-5-13-20)26-22-16-8-7-15-21(22)25(29)27-18-10-14-19-11-6-9-17-23(19)27;;/h6-9,11,15-17,20H,1-5,10,12-14,18H2,(H,26,28);2*1H4.
What are the key properties of N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane?
N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane has a molecular weight of 422.61 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane is sourced from PubChem (CID 173251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).