6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one

C25H19N3O2S — CID 175666045

IUPAC6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CSc3nccc(-c4ccc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C25H19N3O2S/c1-30-21-8-9-22-19(14-21)13-20(24(29)27-22)15-31-25-26-11-10-23(28-25)18-7-6-16-4-2-3-5-17(16)12-18/h2-14H,15H2,1H3,(H,27,29)
InChIKeyBYBVAMNLPSFZNS-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.44
Rot. Bonds5

About 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one

6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one (PubChem CID 175666045) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
PubChem CID175666045
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CSc3nccc(-c4ccc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C25H19N3O2S/c1-30-21-8-9-22-19(14-21)13-20(24(29)27-22)15-31-25-26-11-10-23(28-25)18-7-6-16-4-2-3-5-17(16)12-18/h2-14H,15H2,1H3,(H,27,29)
InChIKeyBYBVAMNLPSFZNS-UHFFFAOYSA-N
XLogP5.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylmethyl]-6-methoxy-1H-quinolin-2-one
CID 172991878
6-methoxy-3-[[3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]phenyl]sulfanylmethyl]-1H-quinolin-2-one
CID 175666037
3-[[4-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]amino]phenyl]sulfanylmethyl]-6-methoxy-1H-quinolin-2-one
CID 172676697
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate
CID 166390240
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3618385
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 175658405
5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 155817119
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 56904800

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one (CID 175666045) is 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CSc3nccc(-c4ccc5ccccc5c4)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The InChIKey is BYBVAMNLPSFZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-30-21-8-9-22-19(14-21)13-20(24(29)27-22)15-31-25-26-11-10-23(28-25)18-7-6-16-4-2-3-5-17(16)12-18/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one has a molecular weight of 425.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 175666045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).