2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline

C17H17NO2 — CID 175106521

IUPAC2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
SMILESCC1(c2ccc3c(c2)OCO3)CCc2ccccc2N1
InChIInChI=1S/C17H17NO2/c1-17(9-8-12-4-2-3-5-14(12)18-17)13-6-7-15-16(10-13)20-11-19-15/h2-7,10,18H,8-9,11H2,1H3
InChIKeyFRBSHESUTZPNDK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.69
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline

2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline (PubChem CID 175106521) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
PubChem CID175106521
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
SMILESCC1(c2ccc3c(c2)OCO3)CCc2ccccc2N1
InChIInChI=1S/C17H17NO2/c1-17(9-8-12-4-2-3-5-14(12)18-17)13-6-7-15-16(10-13)20-11-19-15/h2-7,10,18H,8-9,11H2,1H3
InChIKeyFRBSHESUTZPNDK-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline
CID 84620541
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
CID 63156117
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 113198898
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
4-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-3-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),5,8,10,12,15,17,19-nonaene
CID 58184552
(1R)-1-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 11196421
(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 19963231

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline (CID 175106521) is 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline is CC1(c2ccc3c(c2)OCO3)CCc2ccccc2N1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline?
The InChIKey is FRBSHESUTZPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(9-8-12-4-2-3-5-14(12)18-17)13-6-7-15-16(10-13)20-11-19-15/h2-7,10,18H,8-9,11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline?
2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline has a molecular weight of 267.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 175106521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).