6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile

C25H22N2O — CID 18680070

IUPAC6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile
SMILESCC(=O)N1CCc2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2C1
InChIInChI=1S/C25H22N2O/c1-16(28)27-9-8-20-12-22(6-7-23(20)15-27)25-13-24(25)21-5-4-18-10-17(14-26)2-3-19(18)11-21/h2-7,10-12,24-25H,8-9,13,15H2,1H3
InChIKeyDKAYGBKWLLHYOW-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.89
Rot. Bonds2

About 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile

6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile (PubChem CID 18680070) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile
PubChem CID18680070
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile
SMILESCC(=O)N1CCc2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2C1
InChIInChI=1S/C25H22N2O/c1-16(28)27-9-8-20-12-22(6-7-23(20)15-27)25-13-24(25)21-5-4-18-10-17(14-26)2-3-19(18)11-21/h2-7,10-12,24-25H,8-9,13,15H2,1H3
InChIKeyDKAYGBKWLLHYOW-UHFFFAOYSA-N
XLogP4.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
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
6-[2-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile
CID 18680077
2-acetyl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 53302222
7-acetyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-2-carbonitrile
CID 146152872
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073
1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
CID 154834111
benzyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133059107
4-(1-acetylazetidin-3-yl)benzonitrile
CID 123882801
1-(7-methylsulfinyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 23336529
6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
CID 118639649
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
prop-1-en-2-yl 5-cyano-1,3-dihydroisoindole-2-carboxylate
CID 89026376

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile (CID 18680070) is 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile is CC(=O)N1CCc2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2C1.
What is the InChIKey of 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile?
The InChIKey is DKAYGBKWLLHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-16(28)27-9-8-20-12-22(6-7-23(20)15-27)25-13-24(25)21-5-4-18-10-17(14-26)2-3-19(18)11-21/h2-7,10-12,24-25H,8-9,13,15H2,1H3.
What are the key properties of 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile?
6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile has a molecular weight of 366.46 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 18680070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).