6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline

C15H18N2O2 — CID 141163283

IUPAC6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline
SMILESCCOc1ccc2c(ON3CCCC3)nccc2c1
InChIInChI=1S/C15H18N2O2/c1-2-18-13-5-6-14-12(11-13)7-8-16-15(14)19-17-9-3-4-10-17/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMSPZVSGFZUEIKC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds4

About 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline

6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline (PubChem CID 141163283) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline.

Molecular Properties

Compound Name6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline
PubChem CID141163283
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline
SMILESCCOc1ccc2c(ON3CCCC3)nccc2c1
InChIInChI=1S/C15H18N2O2/c1-2-18-13-5-6-14-12(11-13)7-8-16-15(14)19-17-9-3-4-10-17/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMSPZVSGFZUEIKC-UHFFFAOYSA-N
XLogP3.02
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxyisoquinolin-1-amine
CID 82062973
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
1-butan-2-yloxy-6-(2-methoxyethoxy)isoquinoline
CID 70990315
2,6-diethoxyanthracene
CID 12651989
1-bromo-6-ethoxynaphthalene
CID 151004603
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
4-ethoxy-2-ethylpyridine
CID 59520086
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
4-bromo-7-ethoxyquinoline
CID 119087799
2-ethoxynaphthalene
CID 118978197
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline?
The IUPAC name of 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline (CID 141163283) is 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline.
What is the SMILES notation for 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline?
The canonical SMILES for 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline is CCOc1ccc2c(ON3CCCC3)nccc2c1.
What is the InChIKey of 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline?
The InChIKey is MSPZVSGFZUEIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-18-13-5-6-14-12(11-13)7-8-16-15(14)19-17-9-3-4-10-17/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline?
6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline has a molecular weight of 258.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline is sourced from PubChem (CID 141163283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).