[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C20H19NO3 — CID 113198898

IUPAC[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H19NO3/c22-19(21-11-3-5-14-4-1-2-6-16(14)21)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h1-2,4,6-8,12H,3,5,9-11,13H2
InChIKeyPYJFOHNEQSPULY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.43
Rot. Bonds2

About [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 113198898) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID113198898
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H19NO3/c22-19(21-11-3-5-14-4-1-2-6-16(14)21)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h1-2,4,6-8,12H,3,5,9-11,13H2
InChIKeyPYJFOHNEQSPULY-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 113198975
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 3875644
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
CID 5209504
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78808593
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 7123197
1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide
CID 58609773

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 113198898) is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(N1CCCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PYJFOHNEQSPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19(21-11-3-5-14-4-1-2-6-16(14)21)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h1-2,4,6-8,12H,3,5,9-11,13H2.
What are the key properties of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 113198898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).