7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C31H23N3O2S — CID 153147691

IUPAC7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]c(C(=O)CCc4ccccc4)cc(=O)c3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C31H23N3O2S/c1-19-9-14-29(37-19)30-23(21-11-12-25-22(16-21)8-5-15-32-25)17-24-28(36)18-26(33-31(24)34-30)27(35)13-10-20-6-3-2-4-7-20/h2-9,11-12,14-18H,10,13H2,1H3,(H,33,34,36)
InChIKeyVZVYEICQVFFVAG-UHFFFAOYSA-N
MW501.61 g/mol
LogP6.99
Rot. Bonds6

About 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 153147691) has the molecular formula C31H23N3O2S and a molecular weight of 501.61 g/mol. Its IUPAC name is 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID153147691
Molecular FormulaC31H23N3O2S
Molecular Weight501.61 g/mol
Exact Mass501.15
IUPAC Name7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]c(C(=O)CCc4ccccc4)cc(=O)c3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C31H23N3O2S/c1-19-9-14-29(37-19)30-23(21-11-12-25-22(16-21)8-5-15-32-25)17-24-28(36)18-26(33-31(24)34-30)27(35)13-10-20-6-3-2-4-7-20/h2-9,11-12,14-18H,10,13H2,1H3,(H,33,34,36)
InChIKeyVZVYEICQVFFVAG-UHFFFAOYSA-N
XLogP6.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one with MolForge

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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-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841
7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159538525
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
N-benzyl-8-oxo-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazine-6-carboxamide
CID 154657440
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-(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-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
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

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 153147691) is 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]c(C(=O)CCc4ccccc4)cc(=O)c3cc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is VZVYEICQVFFVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2S/c1-19-9-14-29(37-19)30-23(21-11-12-25-22(16-21)8-5-15-32-25)17-24-28(36)18-26(33-31(24)34-30)27(35)13-10-20-6-3-2-4-7-20/h2-9,11-12,14-18H,10,13H2,1H3,(H,33,34,36).
What are the key properties of 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 501.61 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 153147691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).