7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine

C21H20N4OS — CID 146025978

IUPAC7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OCc4cscn4)c(CN)c3)ccc12
InChIInChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
InChIKeyQMLWVSKDYLAYRJ-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.29
Rot. Bonds5

About 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine (PubChem CID 146025978) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine
PubChem CID146025978
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OCc4cscn4)c(CN)c3)ccc12
InChIInChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
InChIKeyQMLWVSKDYLAYRJ-UHFFFAOYSA-N
XLogP4.29
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine (CID 146025978) is 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine is Cc1cc(N)nc2cc(-c3ccc(OCc4cscn4)c(CN)c3)ccc12.
What is the InChIKey of 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
The InChIKey is QMLWVSKDYLAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25).
What are the key properties of 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine has a molecular weight of 376.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-(1,3-thiazol-4-ylmethoxy)phenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 146025978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).