N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

C22H23ClN2O2 — CID 108978374

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23ClN2O2/c23-18-9-7-16(8-10-18)11-14-24-20(26)22(12-13-22)21(27)25-15-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-10H,3,5,11-15H2,(H,24,26)
InChIKeyZKFXAZJVPSSWTE-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108978374) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108978374
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H23ClN2O2/c23-18-9-7-16(8-10-18)11-14-24-20(26)22(12-13-22)21(27)25-15-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-10H,3,5,11-15H2,(H,24,26)
InChIKeyZKFXAZJVPSSWTE-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 108977368
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973642
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108981162
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749
N-[2-(4-chlorophenyl)ethyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974114
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (CID 108978374) is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is ZKFXAZJVPSSWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-18-9-7-16(8-10-18)11-14-24-20(26)22(12-13-22)21(27)25-15-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-10H,3,5,11-15H2,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).