3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde

C16H21NO2 — CID 62276943

IUPAC3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCc1ccc2c(c1)CCCN2CC1(C=O)CCOC1
InChIInChI=1S/C16H21NO2/c1-13-4-5-15-14(9-13)3-2-7-17(15)10-16(11-18)6-8-19-12-16/h4-5,9,11H,2-3,6-8,10,12H2,1H3
InChIKeyXHRHZTZZWMXFJI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds3

About 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde

3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 62276943) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde
PubChem CID62276943
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCc1ccc2c(c1)CCCN2CC1(C=O)CCOC1
InChIInChI=1S/C16H21NO2/c1-13-4-5-15-14(9-13)3-2-7-17(15)10-16(11-18)6-8-19-12-16/h4-5,9,11H,2-3,6-8,10,12H2,1H3
InChIKeyXHRHZTZZWMXFJI-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde (CID 62276943) is 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde is Cc1ccc2c(c1)CCCN2CC1(C=O)CCOC1.
What is the InChIKey of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is XHRHZTZZWMXFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-4-5-15-14(9-13)3-2-7-17(15)10-16(11-18)6-8-19-12-16/h4-5,9,11H,2-3,6-8,10,12H2,1H3.
What are the key properties of 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde?
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).