7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide

C23H16N4O2S — CID 137438841

IUPAC7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(C(N)=O)c3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C23H16N4O2S/c1-12-4-7-19(30-12)21-15(13-5-6-18-14(9-13)3-2-8-25-18)10-17-16(22(24)29)11-20(28)26-23(17)27-21/h2-11H,1H3,(H2,24,29)(H,26,27,28)
InChIKeyXDIDHOZYCAFSJY-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.27
Rot. Bonds3

About 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide

7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide (PubChem CID 137438841) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
PubChem CID137438841
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(C(N)=O)c3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C23H16N4O2S/c1-12-4-7-19(30-12)21-15(13-5-6-18-14(9-13)3-2-8-25-18)10-17-16(22(24)29)11-20(28)26-23(17)27-21/h2-11H,1H3,(H2,24,29)(H,26,27,28)
InChIKeyXDIDHOZYCAFSJY-UHFFFAOYSA-N
XLogP4.27
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 153147691
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438175
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657489
3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438827
3-(5-methylthiophen-2-yl)-7-(2-oxo-1-pyridinyl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656404
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide
CID 137438077
3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438779
7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159538525

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide (CID 137438841) is 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide is Cc1ccc(-c2nc3[nH]c(=O)cc(C(N)=O)c3cc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide?
The InChIKey is XDIDHOZYCAFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c1-12-4-7-19(30-12)21-15(13-5-6-18-14(9-13)3-2-8-25-18)10-17-16(22(24)29)11-20(28)26-23(17)27-21/h2-11H,1H3,(H2,24,29)(H,26,27,28).
What are the key properties of 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide?
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 137438841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).