1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone

C19H17NO — CID 71619289

IUPAC1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(C)c3ccccc3c2C)cc1
InChIInChI=1S/C19H17NO/c1-12-17-6-4-5-7-18(17)13(2)20-19(12)16-10-8-15(9-11-16)14(3)21/h4-11H,1-3H3
InChIKeyLJUZXGAVMKIBJE-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.72
Rot. Bonds2

About 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone

1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone (PubChem CID 71619289) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone
PubChem CID71619289
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(C)c3ccccc3c2C)cc1
InChIInChI=1S/C19H17NO/c1-12-17-6-4-5-7-18(17)13(2)20-19(12)16-10-8-15(9-11-16)14(3)21/h4-11H,1-3H3
InChIKeyLJUZXGAVMKIBJE-UHFFFAOYSA-N
XLogP4.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1,4-dimethyl-3-phenylisoquinoline
CID 175418789
azane;3-(4-bromophenyl)-1,4-dimethylisoquinoline
CID 175418781
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1,3,4-trimethylisoquinoline
CID 59961835
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
CID 58315812
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone (CID 71619289) is 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone is CC(=O)c1ccc(-c2nc(C)c3ccccc3c2C)cc1.
What is the InChIKey of 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone?
The InChIKey is LJUZXGAVMKIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-12-17-6-4-5-7-18(17)13(2)20-19(12)16-10-8-15(9-11-16)14(3)21/h4-11H,1-3H3.
What are the key properties of 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone?
1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone has a molecular weight of 275.35 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-dimethylisoquinolin-3-yl)phenyl]ethanone is sourced from PubChem (CID 71619289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).