2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide

C15H17Cl2N3O2 — CID 7875332

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C15H17Cl2N3O2/c1-8(2)9(3)19-13(21)6-20-7-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,7-9H,6H2,1-3H3,(H,19,21)/t9-/m1/s1
InChIKeyXTOHOEHIVXSPEP-SECBINFHSA-N
MW342.23 g/mol
LogP2.86
Rot. Bonds4

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 7875332) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID7875332
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C15H17Cl2N3O2/c1-8(2)9(3)19-13(21)6-20-7-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,7-9H,6H2,1-3H3,(H,19,21)/t9-/m1/s1
InChIKeyXTOHOEHIVXSPEP-SECBINFHSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-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

propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46605877
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide
CID 7875350
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 38858482
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 7875332) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is XTOHOEHIVXSPEP-SECBINFHSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-8(2)9(3)19-13(21)6-20-7-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,7-9H,6H2,1-3H3,(H,19,21)/t9-/m1/s1.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7875332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).