3-propyl-2,3-dihydroquinoline

C12H15N — CID 163828727

IUPAC3-propyl-2,3-dihydroquinoline
SMILESCCCC1C=c2ccccc2=NC1
InChIInChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyOBUWXEDDIABWPM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.52
Rot. Bonds2

About 3-propyl-2,3-dihydroquinoline

3-propyl-2,3-dihydroquinoline (PubChem CID 163828727) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-propyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name3-propyl-2,3-dihydroquinoline
PubChem CID163828727
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-propyl-2,3-dihydroquinoline
SMILESCCCC1C=c2ccccc2=NC1
InChIInChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyOBUWXEDDIABWPM-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
Fluorotetrahydrocyclopenta[c]quinoline
CID 129814042
3h-Quinoline
CID 22027752
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
4-Methyl-2,3-dihydroquinoline
CID 68274032
5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2,2,4,6-Tetramethyl-2,3-dihydroquinoline
CID 129865021
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
1,2,2,4-tetramethyl-3H-quinolin-1-ium
CID 139243634

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,3-dihydroquinoline?
The IUPAC name of 3-propyl-2,3-dihydroquinoline (CID 163828727) is 3-propyl-2,3-dihydroquinoline.
What is the SMILES notation for 3-propyl-2,3-dihydroquinoline?
The canonical SMILES for 3-propyl-2,3-dihydroquinoline is CCCC1C=c2ccccc2=NC1.
What is the InChIKey of 3-propyl-2,3-dihydroquinoline?
The InChIKey is OBUWXEDDIABWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3.
What are the key properties of 3-propyl-2,3-dihydroquinoline?
3-propyl-2,3-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,3-dihydroquinoline is sourced from PubChem (CID 163828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).