1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone

C20H18N2O2 — CID 2106501

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
SMILESO=C(COc1nccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19(22-13-5-8-16-7-2-4-10-18(16)22)14-24-20-17-9-3-1-6-15(17)11-12-21-20/h1-4,6-7,9-12H,5,8,13-14H2
InChIKeyAGNSXEHPAGTLBZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.59
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone (PubChem CID 2106501) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
PubChem CID2106501
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
SMILESO=C(COc1nccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19(22-13-5-8-16-7-2-4-10-18(16)22)14-24-20-17-9-3-1-6-15(17)11-12-21-20/h1-4,6-7,9-12H,5,8,13-14H2
InChIKeyAGNSXEHPAGTLBZ-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
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
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]isoquinoline-1-carboximidamide
CID 126805364
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696700
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418422
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
2-[(2-methylpropan-2-yl)oxy]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 112605474

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone (CID 2106501) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone is O=C(COc1nccc2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone?
The InChIKey is AGNSXEHPAGTLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19(22-13-5-8-16-7-2-4-10-18(16)22)14-24-20-17-9-3-1-6-15(17)11-12-21-20/h1-4,6-7,9-12H,5,8,13-14H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone has a molecular weight of 318.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone is sourced from PubChem (CID 2106501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).