4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile

C21H18N2O — CID 11507918

IUPAC4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)CCN(c1ccc(C#N)c3ccccc13)C2
InChIInChI=1S/C21H18N2O/c1-24-18-8-6-17-14-23(11-10-15(17)12-18)21-9-7-16(13-22)19-4-2-3-5-20(19)21/h2-9,12H,10-11,14H2,1H3
InChIKeyOYIURFIFMHHYQW-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds2

About 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile

4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile (PubChem CID 11507918) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
PubChem CID11507918
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)CCN(c1ccc(C#N)c3ccccc13)C2
InChIInChI=1S/C21H18N2O/c1-24-18-8-6-17-14-23(11-10-15(17)12-18)21-9-7-16(13-22)19-4-2-3-5-20(19)21/h2-9,12H,10-11,14H2,1H3
InChIKeyOYIURFIFMHHYQW-UHFFFAOYSA-N
XLogP4.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
Dehydroglaucine
CID 398788
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
1-methyl-2,3-dihydro-1H-pyrido[3,2,1-kl]phenoxazine-9,10-dicarbonitrile
CID 661203
1-[3-[4-[3-(Trifluoromethyl)phenyl]piperazino]propyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 10342773
(R)-11-Amino-2-methoxyaporphine
CID 44568533
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(naphthalen-1-yl)piperazine
CID 10938233
1-Phenyl-4-(3-(1,2,3,4-tetrahydro-7-methoxy-1-naphthalenyl)propyl)piperazine
CID 10406491
1-[3-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10473986
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760347
1-[(4-Methoxy-2,3-dimethylphenyl)methyl]-4-phenylpiperazine
CID 785690

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile (CID 11507918) is 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile is COc1ccc2c(c1)CCN(c1ccc(C#N)c3ccccc13)C2.
What is the InChIKey of 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The InChIKey is OYIURFIFMHHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-18-8-6-17-14-23(11-10-15(17)12-18)21-9-7-16(13-22)19-4-2-3-5-20(19)21/h2-9,12H,10-11,14H2,1H3.
What are the key properties of 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 11507918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).