3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

C16H19ClN2 — CID 79341321

IUPAC3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl
InChIInChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3
InChIKeyJVTUOWKJLNGZOP-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.21
Rot. Bonds4

About 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79341321) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79341321
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl
InChIInChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3
InChIKeyJVTUOWKJLNGZOP-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79341321) is 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is CCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl.
What is the InChIKey of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is JVTUOWKJLNGZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3.
What are the key properties of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).