(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol

C19H17NO — CID 103142969

IUPAC(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cccc2ccncc12
InChIInChI=1S/C19H17NO/c21-19(16-8-6-14(7-9-16)13-4-5-13)17-3-1-2-15-10-11-20-12-18(15)17/h1-3,6-13,19,21H,4-5H2
InChIKeyNZWPFZWIHIZXJI-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.19
Rot. Bonds3

About (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol

(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103142969) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
PubChem CID103142969
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cccc2ccncc12
InChIInChI=1S/C19H17NO/c21-19(16-8-6-14(7-9-16)13-4-5-13)17-3-1-2-15-10-11-20-12-18(15)17/h1-3,6-13,19,21H,4-5H2
InChIKeyNZWPFZWIHIZXJI-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
CID 79980418

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol (CID 103142969) is (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol is OC(c1ccc(C2CC2)cc1)c1cccc2ccncc12.
What is the InChIKey of (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is NZWPFZWIHIZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(16-8-6-14(7-9-16)13-4-5-13)17-3-1-2-15-10-11-20-12-18(15)17/h1-3,6-13,19,21H,4-5H2.
What are the key properties of (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol?
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol has a molecular weight of 275.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103142969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).