N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine

C17H15ClN2 — CID 5204152

IUPACN-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
SMILESCc1c(Cl)cccc1Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C17H15ClN2/c1-11-10-17(20-16-8-4-3-6-13(11)16)19-15-9-5-7-14(18)12(15)2/h3-10H,1-2H3,(H,19,20)
InChIKeyHZEKUNZOBZKSGU-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.25
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine

N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine (PubChem CID 5204152) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
PubChem CID5204152
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
SMILESCc1c(Cl)cccc1Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C17H15ClN2/c1-11-10-17(20-16-8-4-3-6-13(11)16)19-15-9-5-7-14(18)12(15)2/h3-10H,1-2H3,(H,19,20)
InChIKeyHZEKUNZOBZKSGU-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine (CID 5204152) is N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine is Cc1c(Cl)cccc1Nc1cc(C)c2ccccc2n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine?
The InChIKey is HZEKUNZOBZKSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-10-17(20-16-8-4-3-6-13(11)16)19-15-9-5-7-14(18)12(15)2/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine?
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 5204152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).