1-propyl-3,4-dihydro-2H-quinoline

C12H17N — CID 6618775

IUPAC1-propyl-3,4-dihydro-2H-quinoline
SMILESCCCN1CCCc2ccccc21
InChIInChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h3-4,6,8H,2,5,7,9-10H2,1H3
InChIKeyWLLGJRAQHFVTNJ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.85
Rot. Bonds2

About 1-propyl-3,4-dihydro-2H-quinoline

1-propyl-3,4-dihydro-2H-quinoline (PubChem CID 6618775) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-propyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-propyl-3,4-dihydro-2H-quinoline
PubChem CID6618775
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-propyl-3,4-dihydro-2H-quinoline
SMILESCCCN1CCCc2ccccc21
InChIInChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h3-4,6,8H,2,5,7,9-10H2,1H3
InChIKeyWLLGJRAQHFVTNJ-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-propyl-3,4-dihydro-2H-quinoline (CID 6618775) is 1-propyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-propyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-propyl-3,4-dihydro-2H-quinoline is CCCN1CCCc2ccccc21.
What is the InChIKey of 1-propyl-3,4-dihydro-2H-quinoline?
The InChIKey is WLLGJRAQHFVTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h3-4,6,8H,2,5,7,9-10H2,1H3.
What are the key properties of 1-propyl-3,4-dihydro-2H-quinoline?
1-propyl-3,4-dihydro-2H-quinoline has a molecular weight of 175.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 6618775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).