2,3,4-trimethyl-6,7-dihydroquinoline

C12H15N — CID 166969756

IUPAC2,3,4-trimethyl-6,7-dihydroquinoline
SMILESCc1nc2c(c(C)c1C)=CCCC=2
InChIInChI=1S/C12H15N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h6-7H,4-5H2,1-3H3
InChIKeyHMFQPPIMHGIMGK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.36
Rot. Bonds

About 2,3,4-trimethyl-6,7-dihydroquinoline

2,3,4-trimethyl-6,7-dihydroquinoline (PubChem CID 166969756) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,4-trimethyl-6,7-dihydroquinoline.

Molecular Properties

Compound Name2,3,4-trimethyl-6,7-dihydroquinoline
PubChem CID166969756
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,3,4-trimethyl-6,7-dihydroquinoline
SMILESCc1nc2c(c(C)c1C)=CCCC=2
InChIInChI=1S/C12H15N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h6-7H,4-5H2,1-3H3
InChIKeyHMFQPPIMHGIMGK-UHFFFAOYSA-N
XLogP1.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6,7-dihydroquinoline?
The IUPAC name of 2,3,4-trimethyl-6,7-dihydroquinoline (CID 166969756) is 2,3,4-trimethyl-6,7-dihydroquinoline.
What is the SMILES notation for 2,3,4-trimethyl-6,7-dihydroquinoline?
The canonical SMILES for 2,3,4-trimethyl-6,7-dihydroquinoline is Cc1nc2c(c(C)c1C)=CCCC=2.
What is the InChIKey of 2,3,4-trimethyl-6,7-dihydroquinoline?
The InChIKey is HMFQPPIMHGIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-6,7-dihydroquinoline?
2,3,4-trimethyl-6,7-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6,7-dihydroquinoline is sourced from PubChem (CID 166969756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).