methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate

C23H23N3O4S — CID 2575065

IUPACmethyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCCCC3)nc2c1
InChIInChI=1S/C23H23N3O4S/c1-30-22(29)16-10-11-18-19(14-16)24-23(26(21(18)28)17-8-4-2-5-9-17)31-15-20(27)25-12-6-3-7-13-25/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3
InChIKeyMQFCCPSNCRGVPD-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.28
Rot. Bonds5

About methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate

methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate (PubChem CID 2575065) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate
PubChem CID2575065
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Namemethyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCCCC3)nc2c1
InChIInChI=1S/C23H23N3O4S/c1-30-22(29)16-10-11-18-19(14-16)24-23(26(21(18)28)17-8-4-2-5-9-17)31-15-20(27)25-12-6-3-7-13-25/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3
InChIKeyMQFCCPSNCRGVPD-UHFFFAOYSA-N
XLogP3.28
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate
CID 2574905
1-[4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carbonyl]piperidine-4-carboxamide
CID 4605488
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
methyl 2-(3-cyanopropylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate
CID 7953789
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 2673547
3-(4-ethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2383778
methyl 2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 24617665
methyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 55312351
3-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2607811
methyl 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate
CID 18272288
6-bromo-3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 6456841
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 17441182

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate?
The IUPAC name of methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate (CID 2575065) is methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate?
The canonical SMILES for methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCCCC3)nc2c1.
What is the InChIKey of methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate?
The InChIKey is MQFCCPSNCRGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-22(29)16-10-11-18-19(14-16)24-23(26(21(18)28)17-8-4-2-5-9-17)31-15-20(27)25-12-6-3-7-13-25/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3.
What are the key properties of methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate?
methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate has a molecular weight of 437.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carboxylate is sourced from PubChem (CID 2575065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).