3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C21H14N4O2S — CID 137438827

IUPAC3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ncc(-c2nc3[nH]c(=O)c(O)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C21H14N4O2S/c1-11-23-10-18(28-11)19-15(8-14-9-17(26)21(27)25-20(14)24-19)12-4-5-16-13(7-12)3-2-6-22-16/h2-10,26H,1H3,(H,24,25,27)
InChIKeyGLXAJNRRGHRRQO-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.28
Rot. Bonds2

About 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438827) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438827
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ncc(-c2nc3[nH]c(=O)c(O)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C21H14N4O2S/c1-11-23-10-18(28-11)19-15(8-14-9-17(26)21(27)25-20(14)24-19)12-4-5-16-13(7-12)3-2-6-22-16/h2-10,26H,1H3,(H,24,25,27)
InChIKeyGLXAJNRRGHRRQO-UHFFFAOYSA-N
XLogP4.28
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438779
N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide
CID 137438077
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159538525
7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657593
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657489
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841
3-(5-methylthiophen-2-yl)-7-(2-oxo-1-pyridinyl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656404
N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438827) is 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ncc(-c2nc3[nH]c(=O)c(O)cc3cc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is GLXAJNRRGHRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c1-11-23-10-18(28-11)19-15(8-14-9-17(26)21(27)25-20(14)24-19)12-4-5-16-13(7-12)3-2-6-22-16/h2-10,26H,1H3,(H,24,25,27).
What are the key properties of 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 386.44 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).