7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine

C23H22N4O — CID 146025976

IUPAC7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OCc4ccccn4)c(CN)c3)ccc12
InChIInChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)
InChIKeyIYSGQZIVZRDDAE-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.23
Rot. Bonds5

About 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine (PubChem CID 146025976) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine
PubChem CID146025976
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OCc4ccccn4)c(CN)c3)ccc12
InChIInChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)
InChIKeyIYSGQZIVZRDDAE-UHFFFAOYSA-N
XLogP4.23
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine (CID 146025976) is 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine is Cc1cc(N)nc2cc(-c3ccc(OCc4ccccn4)c(CN)c3)ccc12.
What is the InChIKey of 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The InChIKey is IYSGQZIVZRDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27).
What are the key properties of 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 146025976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).