7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine

C17H16ClN3 — CID 155545909

IUPAC7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(Cl)c(CN)c3)ccc12
InChIInChI=1S/C17H16ClN3/c1-10-6-17(20)21-16-8-12(2-4-14(10)16)11-3-5-15(18)13(7-11)9-19/h2-8H,9,19H2,1H3,(H2,20,21)
InChIKeyINYSWISCOURXPI-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.90
Rot. Bonds2

About 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine (PubChem CID 155545909) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine
PubChem CID155545909
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(Cl)c(CN)c3)ccc12
InChIInChI=1S/C17H16ClN3/c1-10-6-17(20)21-16-8-12(2-4-14(10)16)11-3-5-15(18)13(7-11)9-19/h2-8H,9,19H2,1H3,(H2,20,21)
InChIKeyINYSWISCOURXPI-UHFFFAOYSA-N
XLogP3.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine (CID 155545909) is 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine is Cc1cc(N)nc2cc(-c3ccc(Cl)c(CN)c3)ccc12.
What is the InChIKey of 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine?
The InChIKey is INYSWISCOURXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-6-17(20)21-16-8-12(2-4-14(10)16)11-3-5-15(18)13(7-11)9-19/h2-8H,9,19H2,1H3,(H2,20,21).
What are the key properties of 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine has a molecular weight of 297.79 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-chlorophenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 155545909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).