(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline

C11H15N — CID 40526138

IUPAC(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1Cc2ccccc2N(C)C1
InChIInChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)12(2)8-9/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCLQQYBXJWOTWCS-VIFPVBQESA-N
MW161.25 g/mol
LogP2.32
Rot. Bonds

About (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline

(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 40526138) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID40526138
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1Cc2ccccc2N(C)C1
InChIInChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)12(2)8-9/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCLQQYBXJWOTWCS-VIFPVBQESA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline (CID 40526138) is (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline is C[C@H]1Cc2ccccc2N(C)C1.
What is the InChIKey of (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is CLQQYBXJWOTWCS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)12(2)8-9/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline?
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 161.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 40526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).