1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone

C20H22N2O — CID 112509738

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(CC1NCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O/c23-20(22-13-5-8-16-7-2-4-10-19(16)22)14-18-17-9-3-1-6-15(17)11-12-21-18/h1-4,6-7,9-10,18,21H,5,8,11-14H2
InChIKeyBLPHOBJMYAMVSP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.24
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (PubChem CID 112509738) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
PubChem CID112509738
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(CC1NCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O/c23-20(22-13-5-8-16-7-2-4-10-19(16)22)14-18-17-9-3-1-6-15(17)11-12-21-18/h1-4,6-7,9-10,18,21H,5,8,11-14H2
InChIKeyBLPHOBJMYAMVSP-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 82089589
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
CID 110282575
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 112507559
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-methylpiperazin-2-one;hydrochloride
CID 110282474
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (CID 112509738) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is O=C(CC1NCCc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The InChIKey is BLPHOBJMYAMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(22-13-5-8-16-7-2-4-10-19(16)22)14-18-17-9-3-1-6-15(17)11-12-21-18/h1-4,6-7,9-10,18,21H,5,8,11-14H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone has a molecular weight of 306.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is sourced from PubChem (CID 112509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).