1,2,5-trimethyl-3,4-dihydro-2H-quinoline

C12H17N — CID 174213481

IUPAC1,2,5-trimethyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc2c1CCC(C)N2C
InChIInChI=1S/C12H17N/c1-9-5-4-6-12-11(9)8-7-10(2)13(12)3/h4-6,10H,7-8H2,1-3H3
InChIKeyQGXMOAKORJJPJY-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.77
Rot. Bonds

About 1,2,5-trimethyl-3,4-dihydro-2H-quinoline

1,2,5-trimethyl-3,4-dihydro-2H-quinoline (PubChem CID 174213481) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,2,5-trimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,2,5-trimethyl-3,4-dihydro-2H-quinoline
PubChem CID174213481
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,2,5-trimethyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc2c1CCC(C)N2C
InChIInChI=1S/C12H17N/c1-9-5-4-6-12-11(9)8-7-10(2)13(12)3/h4-6,10H,7-8H2,1-3H3
InChIKeyQGXMOAKORJJPJY-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1,2,5-trimethyl-3,4-dihydro-2H-quinoline (CID 174213481) is 1,2,5-trimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1,2,5-trimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1,2,5-trimethyl-3,4-dihydro-2H-quinoline is Cc1cccc2c1CCC(C)N2C.
What is the InChIKey of 1,2,5-trimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is QGXMOAKORJJPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-4-6-12-11(9)8-7-10(2)13(12)3/h4-6,10H,7-8H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-3,4-dihydro-2H-quinoline?
1,2,5-trimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 175.28 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 174213481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).