6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile

C24H22N2 — CID 18680077

IUPAC6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile
SMILESCC1NCCc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21
InChIInChI=1S/C24H22N2/c1-15-22-12-21(6-4-17(22)8-9-26-15)24-13-23(24)20-7-5-18-10-16(14-25)2-3-19(18)11-20/h2-7,10-12,15,23-24,26H,8-9,13H2,1H3
InChIKeyFIODDNTWTTUBSD-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.19
Rot. Bonds2

About 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile

6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile (PubChem CID 18680077) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile
PubChem CID18680077
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile
SMILESCC1NCCc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21
InChIInChI=1S/C24H22N2/c1-15-22-12-21(6-4-17(22)8-9-26-15)24-13-23(24)20-7-5-18-10-16(14-25)2-3-19(18)11-20/h2-7,10-12,15,23-24,26H,8-9,13H2,1H3
InChIKeyFIODDNTWTTUBSD-UHFFFAOYSA-N
XLogP5.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-[1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carbonitrile
CID 18680080
3-methyl-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 83980258
6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile
CID 18680070
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
6-[2-(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10271320
6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]naphthalene-2-carbonitrile
CID 20808423
(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
CID 96989866
1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62496450
1-methyl-7-(methylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 138530781
anthracene-2,6-dicarbonitrile
CID 89012264
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
4-(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzonitrile;hydrochloride
CID 90485988

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile (CID 18680077) is 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile is CC1NCCc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21.
What is the InChIKey of 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile?
The InChIKey is FIODDNTWTTUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-15-22-12-21(6-4-17(22)8-9-26-15)24-13-23(24)20-7-5-18-10-16(14-25)2-3-19(18)11-20/h2-7,10-12,15,23-24,26H,8-9,13H2,1H3.
What are the key properties of 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile?
6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile has a molecular weight of 338.45 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 18680077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).