5-ethyl-3,4-dihydroquinoline

C11H13N — CID 175305665

IUPAC5-ethyl-3,4-dihydroquinoline
SMILESCCc1cccc2c1CCC=N2
InChIInChI=1S/C11H13N/c1-2-9-5-3-7-11-10(9)6-4-8-12-11/h3,5,7-8H,2,4,6H2,1H3
InChIKeyKPDFMHQDPGPJGC-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.90
Rot. Bonds1

About 5-ethyl-3,4-dihydroquinoline

5-ethyl-3,4-dihydroquinoline (PubChem CID 175305665) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name5-ethyl-3,4-dihydroquinoline
PubChem CID175305665
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-ethyl-3,4-dihydroquinoline
SMILESCCc1cccc2c1CCC=N2
InChIInChI=1S/C11H13N/c1-2-9-5-3-7-11-10(9)6-4-8-12-11/h3,5,7-8H,2,4,6H2,1H3
InChIKeyKPDFMHQDPGPJGC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3,4-dihydroquinoline
CID 175823100
[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate
CID 174621263
8-ethyl-1,2-dihydronaphthalene
CID 13330233
8-propyl-3,4-dihydroquinoline
CID 177158602
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 130741224
1-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 145111683
2,7-diethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 70618464

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydroquinoline?
The IUPAC name of 5-ethyl-3,4-dihydroquinoline (CID 175305665) is 5-ethyl-3,4-dihydroquinoline.
What is the SMILES notation for 5-ethyl-3,4-dihydroquinoline?
The canonical SMILES for 5-ethyl-3,4-dihydroquinoline is CCc1cccc2c1CCC=N2.
What is the InChIKey of 5-ethyl-3,4-dihydroquinoline?
The InChIKey is KPDFMHQDPGPJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-9-5-3-7-11-10(9)6-4-8-12-11/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydroquinoline?
5-ethyl-3,4-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydroquinoline is sourced from PubChem (CID 175305665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).