2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H20N4O4S — CID 1259847

IUPAC2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O4S/c25-19(13-23-14-21-18-6-2-1-5-17(18)20(23)26)22-15-7-9-16(10-8-15)29(27,28)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeySTDHNIXQWSVBLQ-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1259847) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1259847
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O4S/c25-19(13-23-14-21-18-6-2-1-5-17(18)20(23)26)22-15-7-9-16(10-8-15)29(27,28)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)
InChIKeySTDHNIXQWSVBLQ-UHFFFAOYSA-N
XLogP1.82
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 25486257
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 30763519
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one
CID 24526028
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525455
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
CID 6619032

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1259847) is 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is STDHNIXQWSVBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-19(13-23-14-21-18-6-2-1-5-17(18)20(23)26)22-15-7-9-16(10-8-15)29(27,28)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1259847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).