bis(3,4-dihydroisoquinolin-1-yl)methanone

C19H16N2O — CID 174753154

IUPACbis(3,4-dihydroisoquinolin-1-yl)methanone
SMILESO=C(C1=NCCc2ccccc21)C1=NCCc2ccccc21
InChIInChI=1S/C19H16N2O/c22-19(17-15-7-3-1-5-13(15)9-11-20-17)18-16-8-4-2-6-14(16)10-12-21-18/h1-8H,9-12H2
InChIKeyTYZFMMBTDDDXMI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds2

About bis(3,4-dihydroisoquinolin-1-yl)methanone

bis(3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 174753154) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is bis(3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Namebis(3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID174753154
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Namebis(3,4-dihydroisoquinolin-1-yl)methanone
SMILESO=C(C1=NCCc2ccccc21)C1=NCCc2ccccc21
InChIInChI=1S/C19H16N2O/c22-19(17-15-7-3-1-5-13(15)9-11-20-17)18-16-8-4-2-6-14(16)10-12-21-18/h1-8H,9-12H2
InChIKeyTYZFMMBTDDDXMI-UHFFFAOYSA-N
XLogP2.65
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 11241375
1-prop-1-en-2-yl-3,4-dihydroisoquinoline
CID 175704614
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
CID 135478442
2-(3,4-dihydroisoquinolin-1-yl)acetic acid
CID 4737805
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
CID 87522084
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
CID 141220935
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 10568385
1-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydroisoquinoline
CID 12507577
[2-(3,4-dihydroisoquinolin-1-yl)-5-methylphenyl] acetate
CID 102460175

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of bis(3,4-dihydroisoquinolin-1-yl)methanone (CID 174753154) is bis(3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for bis(3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for bis(3,4-dihydroisoquinolin-1-yl)methanone is O=C(C1=NCCc2ccccc21)C1=NCCc2ccccc21.
What is the InChIKey of bis(3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is TYZFMMBTDDDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(17-15-7-3-1-5-13(15)9-11-20-17)18-16-8-4-2-6-14(16)10-12-21-18/h1-8H,9-12H2.
What are the key properties of bis(3,4-dihydroisoquinolin-1-yl)methanone?
bis(3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 174753154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).