7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C16H17N3OS — CID 56719514

IUPAC7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(C)Cc3nccs3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3OS/c1-11-3-4-12-8-13(16(20)18-14(12)7-11)9-19(2)10-15-17-5-6-21-15/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyWGWWVNYJXSCJOW-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.93
Rot. Bonds4

About 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 56719514) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID56719514
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(C)Cc3nccs3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3OS/c1-11-3-4-12-8-13(16(20)18-14(12)7-11)9-19(2)10-15-17-5-6-21-15/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyWGWWVNYJXSCJOW-UHFFFAOYSA-N
XLogP2.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 56719514) is 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN(C)Cc3nccs3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is WGWWVNYJXSCJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-3-4-12-8-13(16(20)18-14(12)7-11)9-19(2)10-15-17-5-6-21-15/h3-8H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 299.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56719514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).