2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide

C18H24N2O3 — CID 109133166

IUPAC2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-23-11-5-9-19-17(21)14-12-15(14)18(22)20-10-4-7-13-6-2-3-8-16(13)20/h2-3,6,8,14-15H,4-5,7,9-12H2,1H3,(H,19,21)
InChIKeyUXWBOTSQYQYXIK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide

2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide (PubChem CID 109133166) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
PubChem CID109133166
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-23-11-5-9-19-17(21)14-12-15(14)18(22)20-10-4-7-13-6-2-3-8-16(13)20/h2-3,6,8,14-15H,4-5,7,9-12H2,1H3,(H,19,21)
InChIKeyUXWBOTSQYQYXIK-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109133248
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 109135933
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109137724
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069144
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141479

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide (CID 109133166) is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide is COCCCNC(=O)C1CC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is UXWBOTSQYQYXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-11-5-9-19-17(21)14-12-15(14)18(22)20-10-4-7-13-6-2-3-8-16(13)20/h2-3,6,8,14-15H,4-5,7,9-12H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).