3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone

C21H19NO2 — CID 9113222

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H19NO2/c1-24-20-13-17-8-4-3-7-16(17)12-19(20)21(23)22-11-10-15-6-2-5-9-18(15)14-22/h2-9,12-13H,10-11,14H2,1H3
InChIKeyNJUZJBWANOCYEO-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.05
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone (PubChem CID 9113222) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
PubChem CID9113222
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H19NO2/c1-24-20-13-17-8-4-3-7-16(17)12-19(20)21(23)22-11-10-15-6-2-5-9-18(15)14-22/h2-9,12-13H,10-11,14H2,1H3
InChIKeyNJUZJBWANOCYEO-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505047
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 24718476
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524
3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110852347
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-hexyl-7-methoxyquinolin-2-one
CID 142970389

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone (CID 9113222) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone is COc1cc2ccccc2cc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone?
The InChIKey is NJUZJBWANOCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-20-13-17-8-4-3-7-16(17)12-19(20)21(23)22-11-10-15-6-2-5-9-18(15)14-22/h2-9,12-13H,10-11,14H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 9113222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).