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

C18H23ClN2 — CID 79343842

IUPACN-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc2ccc(C)cc2nc1Cl)CNC(C)(C)C
InChIInChI=1S/C18H23ClN2/c1-12-6-7-14-10-15(17(19)21-16(14)9-12)8-13(2)11-20-18(3,4)5/h6-10,20H,11H2,1-5H3
InChIKeyQGKXKOFJIPVAHD-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.99
Rot. Bonds3

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

N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine (PubChem CID 79343842) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine
PubChem CID79343842
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc2ccc(C)cc2nc1Cl)CNC(C)(C)C
InChIInChI=1S/C18H23ClN2/c1-12-6-7-14-10-15(17(19)21-16(14)9-12)8-13(2)11-20-18(3,4)5/h6-10,20H,11H2,1-5H3
InChIKeyQGKXKOFJIPVAHD-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.99
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 N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine (CID 79343842) is N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine is CC(=Cc1cc2ccc(C)cc2nc1Cl)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine?
The InChIKey is QGKXKOFJIPVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12-6-7-14-10-15(17(19)21-16(14)9-12)8-13(2)11-20-18(3,4)5/h6-10,20H,11H2,1-5H3.
What are the key properties of N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine?
N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).