cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C17H23NO — CID 116612626

IUPACcycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)C1CCCCCC1
InChIInChI=1S/C17H23NO/c19-17(13-6-3-1-2-4-7-13)16-9-5-8-14-12-18-11-10-15(14)16/h5,8-9,13,18H,1-4,6-7,10-12H2
InChIKeyICZIMBFZJFVPTG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.49
Rot. Bonds2

About cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 116612626) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID116612626
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Namecycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)C1CCCCCC1
InChIInChI=1S/C17H23NO/c19-17(13-6-3-1-2-4-7-13)16-9-5-8-14-12-18-11-10-15(14)16/h5,8-9,13,18H,1-4,6-7,10-12H2
InChIKeyICZIMBFZJFVPTG-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612513
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
CID 104557882
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558437

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 116612626) is cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is O=C(c1cccc2c1CCNC2)C1CCCCCC1.
What is the InChIKey of cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is ICZIMBFZJFVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(13-6-3-1-2-4-7-13)16-9-5-8-14-12-18-11-10-15(14)16/h5,8-9,13,18H,1-4,6-7,10-12H2.
What are the key properties of cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 257.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 116612626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).