2,7-dimethyl-3,4-dihydroquinoline

C11H13N — CID 59458325

IUPAC2,7-dimethyl-3,4-dihydroquinoline
SMILESCC1=Nc2cc(C)ccc2CC1
InChIInChI=1S/C11H13N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3,5,7H,4,6H2,1-2H3
InChIKeyQMEUDWKLSGGGGL-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds

About 2,7-dimethyl-3,4-dihydroquinoline

2,7-dimethyl-3,4-dihydroquinoline (PubChem CID 59458325) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,7-dimethyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name2,7-dimethyl-3,4-dihydroquinoline
PubChem CID59458325
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,7-dimethyl-3,4-dihydroquinoline
SMILESCC1=Nc2cc(C)ccc2CC1
InChIInChI=1S/C11H13N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3,5,7H,4,6H2,1-2H3
InChIKeyQMEUDWKLSGGGGL-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,4-dihydroquinoline?
The IUPAC name of 2,7-dimethyl-3,4-dihydroquinoline (CID 59458325) is 2,7-dimethyl-3,4-dihydroquinoline.
What is the SMILES notation for 2,7-dimethyl-3,4-dihydroquinoline?
The canonical SMILES for 2,7-dimethyl-3,4-dihydroquinoline is CC1=Nc2cc(C)ccc2CC1.
What is the InChIKey of 2,7-dimethyl-3,4-dihydroquinoline?
The InChIKey is QMEUDWKLSGGGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-3,4-dihydroquinoline?
2,7-dimethyl-3,4-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3,4-dihydroquinoline is sourced from PubChem (CID 59458325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).