2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C25H30N4O2S — CID 46606034

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O2S/c1-3-4-15-29-24(31)20-9-5-6-10-22(20)27-25(29)32-17-23(30)26-21-12-11-19(16-18(21)2)28-13-7-8-14-28/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)
InChIKeyKYOMSNYRCBUJMT-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.84
Rot. Bonds8

About 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 46606034) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID46606034
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O2S/c1-3-4-15-29-24(31)20-9-5-6-10-22(20)27-25(29)32-17-23(30)26-21-12-11-19(16-18(21)2)28-13-7-8-14-28/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)
InChIKeyKYOMSNYRCBUJMT-UHFFFAOYSA-N
XLogP4.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)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

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 29154591
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7582889
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7858126
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2701084
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 4812097
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
N-(2-bromo-4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 29154593
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 4006012

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 46606034) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is CCCCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KYOMSNYRCBUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-3-4-15-29-24(31)20-9-5-6-10-22(20)27-25(29)32-17-23(30)26-21-12-11-19(16-18(21)2)28-13-7-8-14-28/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 450.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 46606034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).