N-(4-ethynylcyclohexyl)quinoline-4-carboxamide

C18H18N2O — CID 174665969

IUPACN-(4-ethynylcyclohexyl)quinoline-4-carboxamide
SMILESC#CC1CCC(NC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C18H18N2O/c1-2-13-7-9-14(10-8-13)20-18(21)16-11-12-19-17-6-4-3-5-15(16)17/h1,3-6,11-14H,7-10H2,(H,20,21)
InChIKeyNAEAWMDGEVQPAF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds2

About N-(4-ethynylcyclohexyl)quinoline-4-carboxamide

N-(4-ethynylcyclohexyl)quinoline-4-carboxamide (PubChem CID 174665969) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-ethynylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethynylcyclohexyl)quinoline-4-carboxamide
PubChem CID174665969
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(4-ethynylcyclohexyl)quinoline-4-carboxamide
SMILESC#CC1CCC(NC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C18H18N2O/c1-2-13-7-9-14(10-8-13)20-18(21)16-11-12-19-17-6-4-3-5-15(16)17/h1,3-6,11-14H,7-10H2,(H,20,21)
InChIKeyNAEAWMDGEVQPAF-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
CID 112804091
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
CID 172895594
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-ethynylcyclohexyl)quinoline-4-carboxamide (CID 174665969) is N-(4-ethynylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethynylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-ethynylcyclohexyl)quinoline-4-carboxamide is C#CC1CCC(NC(=O)c2ccnc3ccccc23)CC1.
What is the InChIKey of N-(4-ethynylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is NAEAWMDGEVQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-13-7-9-14(10-8-13)20-18(21)16-11-12-19-17-6-4-3-5-15(16)17/h1,3-6,11-14H,7-10H2,(H,20,21).
What are the key properties of N-(4-ethynylcyclohexyl)quinoline-4-carboxamide?
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 174665969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).