isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone

C18H15NO2 — CID 114970995

IUPACisoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cccc2cnccc12
InChIInChI=1S/C18H15NO2/c1-12-6-7-17(21-2)16(10-12)18(20)15-5-3-4-13-11-19-9-8-14(13)15/h3-11H,1-2H3
InChIKeyGGVNGRDYECECRS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.78
Rot. Bonds3

About isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone

isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone (PubChem CID 114970995) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
PubChem CID114970995
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Nameisoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cccc2cnccc12
InChIInChI=1S/C18H15NO2/c1-12-6-7-17(21-2)16(10-12)18(20)15-5-3-4-13-11-19-9-8-14(13)15/h3-11H,1-2H3
InChIKeyGGVNGRDYECECRS-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308
(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085
tert-butyl N-[5-(isoquinoline-5-carbonyl)-6-methoxy-2,3-dihydroindol-1-yl]carbamate
CID 151987568
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone (CID 114970995) is isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is GGVNGRDYECECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-6-7-17(21-2)16(10-12)18(20)15-5-3-4-13-11-19-9-8-14(13)15/h3-11H,1-2H3.
What are the key properties of isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone?
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 114970995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).