7-pentoxyisoquinoline

C14H17NO — CID 151702579

IUPAC7-pentoxyisoquinoline
SMILESCCCCCOc1ccc2ccncc2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-9-16-14-6-5-12-7-8-15-11-13(12)10-14/h5-8,10-11H,2-4,9H2,1H3
InChIKeyREXNGURMNXLUME-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.80
Rot. Bonds5

About 7-pentoxyisoquinoline

7-pentoxyisoquinoline (PubChem CID 151702579) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-pentoxyisoquinoline.

Molecular Properties

Compound Name7-pentoxyisoquinoline
PubChem CID151702579
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-pentoxyisoquinoline
SMILESCCCCCOc1ccc2ccncc2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-9-16-14-6-5-12-7-8-15-11-13(12)10-14/h5-8,10-11H,2-4,9H2,1H3
InChIKeyREXNGURMNXLUME-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-isoquinolin-7-yloxypropan-2-one
CID 82580297
4-pentoxypyridine
CID 23560340
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
3-octadecoxypyridine
CID 175800212
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581
1,4-dipentoxybenzene
CID 18314717
6-tridecoxyquinoline
CID 174908858
2-butoxy-6-methylnaphthalene
CID 58718847
1,3-dihexadecoxybenzene
CID 12686834
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
5-bromo-2-(6-decoxynaphthalen-2-yl)pyrimidine
CID 139665367

Frequently Asked Questions

What is the IUPAC name of 7-pentoxyisoquinoline?
The IUPAC name of 7-pentoxyisoquinoline (CID 151702579) is 7-pentoxyisoquinoline.
What is the SMILES notation for 7-pentoxyisoquinoline?
The canonical SMILES for 7-pentoxyisoquinoline is CCCCCOc1ccc2ccncc2c1.
What is the InChIKey of 7-pentoxyisoquinoline?
The InChIKey is REXNGURMNXLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-9-16-14-6-5-12-7-8-15-11-13(12)10-14/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 7-pentoxyisoquinoline?
7-pentoxyisoquinoline has a molecular weight of 215.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentoxyisoquinoline is sourced from PubChem (CID 151702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).