3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline

C13H19NO — CID 76504253

IUPAC3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCCC1CNc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-8-4-5-11-9-12-6-2-3-7-13(12)14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyQBPOAHNNCAXAFT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.70
Rot. Bonds4

About 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline

3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 76504253) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
PubChem CID76504253
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCCC1CNc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-8-4-5-11-9-12-6-2-3-7-13(12)14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyQBPOAHNNCAXAFT-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107387379
3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
CID 107387405
7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 105463071
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline (CID 76504253) is 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline is COCCCC1CNc2ccccc2C1.
What is the InChIKey of 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QBPOAHNNCAXAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-8-4-5-11-9-12-6-2-3-7-13(12)14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline?
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 76504253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).