N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

C22H23ClN2O3 — CID 109141479

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H23ClN2O3/c1-13-10-18(20(28-2)12-17(13)23)24-21(26)15-11-16(15)22(27)25-9-5-7-14-6-3-4-8-19(14)25/h3-4,6,8,10,12,15-16H,5,7,9,11H2,1-2H3,(H,24,26)
InChIKeyQKNRUGOEBSJWED-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.21
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109141479) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109141479
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H23ClN2O3/c1-13-10-18(20(28-2)12-17(13)23)24-21(26)15-11-16(15)22(27)25-9-5-7-14-6-3-4-8-19(14)25/h3-4,6,8,10,12,15-16H,5,7,9,11H2,1-2H3,(H,24,26)
InChIKeyQKNRUGOEBSJWED-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
N-(2,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141474
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130803
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133166
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197861

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (CID 109141479) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is QKNRUGOEBSJWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-13-10-18(20(28-2)12-17(13)23)24-21(26)15-11-16(15)22(27)25-9-5-7-14-6-3-4-8-19(14)25/h3-4,6,8,10,12,15-16H,5,7,9,11H2,1-2H3,(H,24,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109141479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).