3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one

C23H25N3O2S — CID 51365371

IUPAC3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one
SMILESCC(C)Cn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O2S/c1-16(2)14-26-22(28)19-6-3-4-7-20(19)24-23(26)29-15-17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3
InChIKeyNOBXLXUJHNBCKO-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.47
Rot. Bonds6

About 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one

3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one (PubChem CID 51365371) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one
PubChem CID51365371
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one
SMILESCC(C)Cn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O2S/c1-16(2)14-26-22(28)19-6-3-4-7-20(19)24-23(26)29-15-17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3
InChIKeyNOBXLXUJHNBCKO-UHFFFAOYSA-N
XLogP4.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(3,5-difluorophenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 51365372
4-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoic acid
CID 45471479
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24570246
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
2-[(4-tert-butylphenyl)methylsulfanyl]-3-[3-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl]quinazolin-4-one
CID 46370331
3-(2-methylpropyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one
CID 3257790
3-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 110005199
2-[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 2403457
6-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 7355891
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3483877
2-benzylsulfanyl-6-methyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95921099

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one (CID 51365371) is 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one is CC(C)Cn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one?
The InChIKey is NOBXLXUJHNBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16(2)14-26-22(28)19-6-3-4-7-20(19)24-23(26)29-15-17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one?
3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one has a molecular weight of 407.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 51365371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).