(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol

C22H19NO — CID 134960094

IUPAC(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol
SMILESCC[C@@H](O)c1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C22H19NO/c1-2-20(24)19-12-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)13-14-23-22/h3-14,20,24H,2H2,1H3/t20-/m1/s1
InChIKeySHHILSXPEXQHBE-HXUWFJFHSA-N
MW313.40 g/mol
LogP5.50
Rot. Bonds3

About (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol

(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol (PubChem CID 134960094) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol
PubChem CID134960094
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol
SMILESCC[C@@H](O)c1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C22H19NO/c1-2-20(24)19-12-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)13-14-23-22/h3-14,20,24H,2H2,1H3/t20-/m1/s1
InChIKeySHHILSXPEXQHBE-HXUWFJFHSA-N
XLogP5.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
CID 54170219
1-(4-ethylphenyl)isoquinoline
CID 58184660
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
isoquinolin-1-ylmethanediol
CID 57261748
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
1-(1-methylpyrrol-2-yl)isoquinoline
CID 11769704
1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline
CID 177496631
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
carbanide;iridium;1-phenylisoquinoline
CID 166502152

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol?
The IUPAC name of (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol (CID 134960094) is (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol is CC[C@@H](O)c1ccc2ccccc2c1-c1nccc2ccccc12.
What is the InChIKey of (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol?
The InChIKey is SHHILSXPEXQHBE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19NO/c1-2-20(24)19-12-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)13-14-23-22/h3-14,20,24H,2H2,1H3/t20-/m1/s1.
What are the key properties of (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol?
(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 134960094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).