3-pent-4-enylquinolin-2-amine

C14H16N2 — CID 118184853

IUPAC3-pent-4-enylquinolin-2-amine
SMILESC=CCCCc1cc2ccccc2nc1N
InChIInChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h2,5-7,9-10H,1,3-4,8H2,(H2,15,16)
InChIKeyICHACKZHSNIUCE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.33
Rot. Bonds4

About 3-pent-4-enylquinolin-2-amine

3-pent-4-enylquinolin-2-amine (PubChem CID 118184853) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-pent-4-enylquinolin-2-amine.

Molecular Properties

Compound Name3-pent-4-enylquinolin-2-amine
PubChem CID118184853
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-pent-4-enylquinolin-2-amine
SMILESC=CCCCc1cc2ccccc2nc1N
InChIInChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h2,5-7,9-10H,1,3-4,8H2,(H2,15,16)
InChIKeyICHACKZHSNIUCE-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Acridine
CID 9215
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643
Quipazine
CID 5011
2-Aminoquinoline
CID 11379
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4-Aminoquinazoline
CID 84759
2-Methylquinolin-6-amine
CID 103148

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enylquinolin-2-amine?
The IUPAC name of 3-pent-4-enylquinolin-2-amine (CID 118184853) is 3-pent-4-enylquinolin-2-amine.
What is the SMILES notation for 3-pent-4-enylquinolin-2-amine?
The canonical SMILES for 3-pent-4-enylquinolin-2-amine is C=CCCCc1cc2ccccc2nc1N.
What is the InChIKey of 3-pent-4-enylquinolin-2-amine?
The InChIKey is ICHACKZHSNIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h2,5-7,9-10H,1,3-4,8H2,(H2,15,16).
What are the key properties of 3-pent-4-enylquinolin-2-amine?
3-pent-4-enylquinolin-2-amine has a molecular weight of 212.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enylquinolin-2-amine is sourced from PubChem (CID 118184853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).