6-ethyl-4a,8a-dihydroquinoline

C11H13N — CID 70345799

IUPAC6-ethyl-4a,8a-dihydroquinoline
SMILESCCC1=CC2C=CC=NC2C=C1
InChIInChI=1S/C11H13N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8,10-11H,2H2,1H3
InChIKeyMQCSYZSHTGAMHI-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds1

About 6-ethyl-4a,8a-dihydroquinoline

6-ethyl-4a,8a-dihydroquinoline (PubChem CID 70345799) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-ethyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name6-ethyl-4a,8a-dihydroquinoline
PubChem CID70345799
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-ethyl-4a,8a-dihydroquinoline
SMILESCCC1=CC2C=CC=NC2C=C1
InChIInChI=1S/C11H13N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8,10-11H,2H2,1H3
InChIKeyMQCSYZSHTGAMHI-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4a,8a-dihydroquinoline?
The IUPAC name of 6-ethyl-4a,8a-dihydroquinoline (CID 70345799) is 6-ethyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 6-ethyl-4a,8a-dihydroquinoline?
The canonical SMILES for 6-ethyl-4a,8a-dihydroquinoline is CCC1=CC2C=CC=NC2C=C1.
What is the InChIKey of 6-ethyl-4a,8a-dihydroquinoline?
The InChIKey is MQCSYZSHTGAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8,10-11H,2H2,1H3.
What are the key properties of 6-ethyl-4a,8a-dihydroquinoline?
6-ethyl-4a,8a-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 70345799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).