1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol

C15H17NO — CID 103140859

IUPAC1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol
SMILESOC(CCc1cccc2ccncc12)C1CC1
InChIInChI=1S/C15H17NO/c17-15(13-4-5-13)7-6-11-2-1-3-12-8-9-16-10-14(11)12/h1-3,8-10,13,15,17H,4-7H2
InChIKeyRIIDCVDNWVIDNI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol

1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol (PubChem CID 103140859) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol
PubChem CID103140859
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol
SMILESOC(CCc1cccc2ccncc12)C1CC1
InChIInChI=1S/C15H17NO/c17-15(13-4-5-13)7-6-11-2-1-3-12-8-9-16-10-14(11)12/h1-3,8-10,13,15,17H,4-7H2
InChIKeyRIIDCVDNWVIDNI-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-4,4-dimethylpentyl)isoquinoline
CID 103140904
3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
4-isoquinolin-8-ylbutan-2-one
CID 103144158
1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
CID 79436464
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425
isoquinolin-8-ol
CID 135441711
1-isoquinolin-8-ylpentan-3-one
CID 103144159
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol?
The IUPAC name of 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol (CID 103140859) is 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol is OC(CCc1cccc2ccncc12)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol?
The InChIKey is RIIDCVDNWVIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15(13-4-5-13)7-6-11-2-1-3-12-8-9-16-10-14(11)12/h1-3,8-10,13,15,17H,4-7H2.
What are the key properties of 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol?
1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol is sourced from PubChem (CID 103140859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).