2,5,7-trimethyl-4a,5-dihydroquinoline

C12H15N — CID 129057867

IUPAC2,5,7-trimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)C2C=CC(C)=NC2=C1
InChIInChI=1S/C12H15N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7,9,11H,1-3H3
InChIKeyDRCIXMQEHPWBCL-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds

About 2,5,7-trimethyl-4a,5-dihydroquinoline

2,5,7-trimethyl-4a,5-dihydroquinoline (PubChem CID 129057867) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,5,7-trimethyl-4a,5-dihydroquinoline.

Molecular Properties

Compound Name2,5,7-trimethyl-4a,5-dihydroquinoline
PubChem CID129057867
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,5,7-trimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)C2C=CC(C)=NC2=C1
InChIInChI=1S/C12H15N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7,9,11H,1-3H3
InChIKeyDRCIXMQEHPWBCL-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-4a,5-dihydroquinoline?
The IUPAC name of 2,5,7-trimethyl-4a,5-dihydroquinoline (CID 129057867) is 2,5,7-trimethyl-4a,5-dihydroquinoline.
What is the SMILES notation for 2,5,7-trimethyl-4a,5-dihydroquinoline?
The canonical SMILES for 2,5,7-trimethyl-4a,5-dihydroquinoline is CC1=CC(C)C2C=CC(C)=NC2=C1.
What is the InChIKey of 2,5,7-trimethyl-4a,5-dihydroquinoline?
The InChIKey is DRCIXMQEHPWBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7,9,11H,1-3H3.
What are the key properties of 2,5,7-trimethyl-4a,5-dihydroquinoline?
2,5,7-trimethyl-4a,5-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-4a,5-dihydroquinoline is sourced from PubChem (CID 129057867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).