N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

C22H32N4O4S — CID 3459171

IUPACN-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
InChIInChI=1S/C22H32N4O4S/c1-4-6-11-24(5-2)21(27)15-25-16-23-20-8-7-18(14-19(20)22(25)28)31(29,30)26-12-9-17(3)10-13-26/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3
InChIKeyJFKAAQYJJDTQBW-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.47
Rot. Bonds8

About N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 3459171) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
PubChem CID3459171
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
InChIInChI=1S/C22H32N4O4S/c1-4-6-11-24(5-2)21(27)15-25-16-23-20-8-7-18(14-19(20)22(25)28)31(29,30)26-12-9-17(3)10-13-26/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3
InChIKeyJFKAAQYJJDTQBW-UHFFFAOYSA-N
XLogP2.47
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(4-oxo-3H-quinazolin-6-yl)sulfonylamino]butanediamide
CID 135485671
3-methyl-8-(piperidin-1-ylsulfonyl)-6H-pyrido[1,2-a]quinazolin-6-one
CID 5303283
2-chloro-8-[(3-methylpiperidin-1-yl)sulfonyl]-6H-pyrido[1,2-a]quinazolin-6-one
CID 5303285
2-(4-oxo-3(4H)-quinazolinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
CID 1259847
3-(4-oxo-3(4H)-quinazolinyl)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide
CID 1291315
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2220150
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(4-oxo-3(4H)-quinazolinyl)acetamide
CID 2202357
3-(4-oxo-3(4H)-quinazolinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide
CID 1096313
3-[2-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 2524709
N-{4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl}-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 2964209
N-(2-methoxyethyl)-2-[6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxoquinazolin-3(4H)-yl]acetamide
CID 3240421
2-(4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 4968798

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (CID 3459171) is N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is CCCCN(CC)C(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O.
What is the InChIKey of N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is JFKAAQYJJDTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-4-6-11-24(5-2)21(27)15-25-16-23-20-8-7-18(14-19(20)22(25)28)31(29,30)26-12-9-17(3)10-13-26/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 448.59 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 3459171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).