N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

C22H22N2O4 — CID 109141468

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O4/c25-21(23-15-7-8-19-20(12-15)28-11-10-27-19)16-13-17(16)22(26)24-9-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-8,12,16-17H,3,5,9-11,13H2,(H,23,25)
InChIKeyLHFHUSQKYZUUTI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.01
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109141468) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109141468
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H22N2O4/c25-21(23-15-7-8-19-20(12-15)28-11-10-27-19)16-13-17(16)22(26)24-9-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-8,12,16-17H,3,5,9-11,13H2,(H,23,25)
InChIKeyLHFHUSQKYZUUTI-UHFFFAOYSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134621
N-(2,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141474
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
1-N-(3-acetamidophenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143830
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266278
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141800
1-N-(3-chloro-4-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143173
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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (CID 109141468) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is LHFHUSQKYZUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(23-15-7-8-19-20(12-15)28-11-10-27-19)16-13-17(16)22(26)24-9-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-8,12,16-17H,3,5,9-11,13H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).