N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide

C21H22N2O3 — CID 60522591

IUPACN-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H22N2O3/c24-20(23-12-4-7-15-5-1-2-9-19(15)23)14-26-18-8-3-6-16(13-18)21(25)22-17-10-11-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,25)
InChIKeyHBGBACZFNADTSO-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide

N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 60522591) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
PubChem CID60522591
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H22N2O3/c24-20(23-12-4-7-15-5-1-2-9-19(15)23)14-26-18-8-3-6-16(13-18)21(25)22-17-10-11-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,25)
InChIKeyHBGBACZFNADTSO-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903078
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
CID 60522738
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide (CID 60522591) is N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide is O=C(NC1CC1)c1cccc(OCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is HBGBACZFNADTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(23-12-4-7-15-5-1-2-9-19(15)23)14-26-18-8-3-6-16(13-18)21(25)22-17-10-11-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,25).
What are the key properties of N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 60522591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).