6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

C20H18N4O5S — CID 126949409

IUPAC6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCn1c(C2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O5S/c1-23-18(21-14-6-3-2-5-13(14)19(23)25)16-7-4-10-24(16)30(27,28)12-8-9-15-17(11-12)29-20(26)22-15/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,26)
InChIKeyGDKBFZFDZCYQEP-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.89
Rot. Bonds3

About 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 126949409) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID126949409
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Name6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCn1c(C2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O5S/c1-23-18(21-14-6-3-2-5-13(14)19(23)25)16-7-4-10-24(16)30(27,28)12-8-9-15-17(11-12)29-20(26)22-15/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,26)
InChIKeyGDKBFZFDZCYQEP-UHFFFAOYSA-N
XLogP1.89
TPSA118.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
6-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110285970
5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718315
5-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718316
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
6-[2-[(6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126923225
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8799091
3-(2,2-difluoroethyl)-2-[1-(1,2-oxazol-4-ylsulfonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950211

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (CID 126949409) is 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is Cn1c(C2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2ccccc2c1=O.
What is the InChIKey of 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is GDKBFZFDZCYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-23-18(21-14-6-3-2-5-13(14)19(23)25)16-7-4-10-24(16)30(27,28)12-8-9-15-17(11-12)29-20(26)22-15/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,22,26).
What are the key properties of 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 426.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 126949409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).