6-propyl-4a,5-dihydroquinoline

C12H15N — CID 123483212

IUPAC6-propyl-4a,5-dihydroquinoline
SMILESCCCC1=CC=C2N=CC=CC2C1
InChIInChI=1S/C12H15N/c1-2-4-10-6-7-12-11(9-10)5-3-8-13-12/h3,5-8,11H,2,4,9H2,1H3
InChIKeyUAZANWGTNSFNGS-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.26
Rot. Bonds2

About 6-propyl-4a,5-dihydroquinoline

6-propyl-4a,5-dihydroquinoline (PubChem CID 123483212) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-propyl-4a,5-dihydroquinoline.

Molecular Properties

Compound Name6-propyl-4a,5-dihydroquinoline
PubChem CID123483212
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-propyl-4a,5-dihydroquinoline
SMILESCCCC1=CC=C2N=CC=CC2C1
InChIInChI=1S/C12H15N/c1-2-4-10-6-7-12-11(9-10)5-3-8-13-12/h3,5-8,11H,2,4,9H2,1H3
InChIKeyUAZANWGTNSFNGS-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,5,6,7-Tetrahydroquinoline
CID 77755842
8-Fluoro-4-propan-2-yl-6,7-dihydroquinoline
CID 168883126
10a,10b-Dihydrobenzo[f]quinoline
CID 91482637
9bH-benzo[de]quinoline
CID 57001454
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
(5R)-5,8-dimethyl-4a,5-dihydroquinoline
CID 68330516
4a,5-Dihydroquinoline
CID 70645692
8-(2-Methylbutan-2-yl)-4a,8a-dihydroquinoline
CID 71069576
1-methylidene-8aH-isoquinoline
CID 72577554
8-Propan-2-yl-6,7-dihydroquinoline
CID 89144428
(7R)-7-methyl-6,7-dihydroquinoline
CID 89356030
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195

Frequently Asked Questions

What is the IUPAC name of 6-propyl-4a,5-dihydroquinoline?
The IUPAC name of 6-propyl-4a,5-dihydroquinoline (CID 123483212) is 6-propyl-4a,5-dihydroquinoline.
What is the SMILES notation for 6-propyl-4a,5-dihydroquinoline?
The canonical SMILES for 6-propyl-4a,5-dihydroquinoline is CCCC1=CC=C2N=CC=CC2C1.
What is the InChIKey of 6-propyl-4a,5-dihydroquinoline?
The InChIKey is UAZANWGTNSFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-10-6-7-12-11(9-10)5-3-8-13-12/h3,5-8,11H,2,4,9H2,1H3.
What are the key properties of 6-propyl-4a,5-dihydroquinoline?
6-propyl-4a,5-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4a,5-dihydroquinoline is sourced from PubChem (CID 123483212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).