1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol

C17H22N2O2 — CID 107407376

IUPAC1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
SMILESCOc1ccc2ccnc(N3CCCC(C)(O)CC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-17(20)7-3-10-19(11-8-17)16-15-12-14(21-2)5-4-13(15)6-9-18-16/h4-6,9,12,20H,3,7-8,10-11H2,1-2H3
InChIKeyODMSRPUVOVCGRB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.98
Rot. Bonds2

About 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol

1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol (PubChem CID 107407376) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
PubChem CID107407376
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
SMILESCOc1ccc2ccnc(N3CCCC(C)(O)CC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-17(20)7-3-10-19(11-8-17)16-15-12-14(21-2)5-4-13(15)6-9-18-16/h4-6,9,12,20H,3,7-8,10-11H2,1-2H3
InChIKeyODMSRPUVOVCGRB-UHFFFAOYSA-N
XLogP2.98
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
1-furo[3,2-c]pyridin-4-yl-4-methylazepan-4-ol
CID 107407467
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-(3-amino-5-methoxyphenyl)-4-methylazepan-4-ol
CID 107403724

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol (CID 107407376) is 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol is COc1ccc2ccnc(N3CCCC(C)(O)CC3)c2c1.
What is the InChIKey of 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol?
The InChIKey is ODMSRPUVOVCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(20)7-3-10-19(11-8-17)16-15-12-14(21-2)5-4-13(15)6-9-18-16/h4-6,9,12,20H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol?
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol has a molecular weight of 286.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107407376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).