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

C22H23N3O3 — CID 109141456

IUPACN-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H23N3O3/c1-14(26)23-16-8-4-9-17(12-16)24-21(27)18-13-19(18)22(28)25-11-5-7-15-6-2-3-10-20(15)25/h2-4,6,8-10,12,18-19H,5,7,11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeySRYQOYPHNPCZBN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.20
Rot. Bonds4

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

N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109141456) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109141456
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H23N3O3/c1-14(26)23-16-8-4-9-17(12-16)24-21(27)18-13-19(18)22(28)25-11-5-7-15-6-2-3-10-20(15)25/h2-4,6,8-10,12,18-19H,5,7,11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeySRYQOYPHNPCZBN-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
N-(2,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141474
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141479
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 46421494
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133166
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 109150621

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (CID 109141456) is N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC2C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is SRYQOYPHNPCZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(26)23-16-8-4-9-17(12-16)24-21(27)18-13-19(18)22(28)25-11-5-7-15-6-2-3-10-20(15)25/h2-4,6,8-10,12,18-19H,5,7,11,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109141456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).