3,4-dihydro-2H-quinolin-1-ylmethyl formate

C11H13NO2 — CID 174811970

IUPAC3,4-dihydro-2H-quinolin-1-ylmethyl formate
SMILESO=COCN1CCCc2ccccc21
InChIInChI=1S/C11H13NO2/c13-9-14-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,9H,3,5,7-8H2
InChIKeyMHXSRUSCRCLJBZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.57
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-ylmethyl formate

3,4-dihydro-2H-quinolin-1-ylmethyl formate (PubChem CID 174811970) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-ylmethyl formate.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-ylmethyl formate
PubChem CID174811970
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3,4-dihydro-2H-quinolin-1-ylmethyl formate
SMILESO=COCN1CCCc2ccccc21
InChIInChI=1S/C11H13NO2/c13-9-14-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,9H,3,5,7-8H2
InChIKeyMHXSRUSCRCLJBZ-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
3,4-dihydro-2H-quinolin-1-ylmethanesulfinate
CID 174943976
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-(2-diethoxyphosphorylethyl)-3,4-dihydro-2H-quinoline
CID 167883099
1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
CID 77051840
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-ylmethyl formate?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-ylmethyl formate (CID 174811970) is 3,4-dihydro-2H-quinolin-1-ylmethyl formate.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-ylmethyl formate?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-ylmethyl formate is O=COCN1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-ylmethyl formate?
The InChIKey is MHXSRUSCRCLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-14-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,9H,3,5,7-8H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-ylmethyl formate?
3,4-dihydro-2H-quinolin-1-ylmethyl formate has a molecular weight of 191.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-ylmethyl formate is sourced from PubChem (CID 174811970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).