1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one

C18H14N4OS — CID 69459961

IUPAC1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one
SMILESNCn1c(=O)c(-c2csc(-c3ccncc3)n2)cc2ccccc21
InChIInChI=1S/C18H14N4OS/c19-11-22-16-4-2-1-3-13(16)9-14(18(22)23)15-10-24-17(21-15)12-5-7-20-8-6-12/h1-10H,11,19H2
InChIKeyGMVGEFUCCGIQFJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.10
Rot. Bonds3

About 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one

1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one (PubChem CID 69459961) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one
PubChem CID69459961
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one
SMILESNCn1c(=O)c(-c2csc(-c3ccncc3)n2)cc2ccccc21
InChIInChI=1S/C18H14N4OS/c19-11-22-16-4-2-1-3-13(16)9-14(18(22)23)15-10-24-17(21-15)12-5-7-20-8-6-12/h1-10H,11,19H2
InChIKeyGMVGEFUCCGIQFJ-UHFFFAOYSA-N
XLogP3.10
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one?
The IUPAC name of 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one (CID 69459961) is 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one.
What is the SMILES notation for 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one?
The canonical SMILES for 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one is NCn1c(=O)c(-c2csc(-c3ccncc3)n2)cc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one?
The InChIKey is GMVGEFUCCGIQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c19-11-22-16-4-2-1-3-13(16)9-14(18(22)23)15-10-24-17(21-15)12-5-7-20-8-6-12/h1-10H,11,19H2.
What are the key properties of 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one?
1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one has a molecular weight of 334.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinolin-2-one is sourced from PubChem (CID 69459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).