2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H15Cl2N5O2 — CID 39061483

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H15Cl2N5O2/c1-9(2)23-13(3-4-20-23)21-14(24)7-22-8-19-15-11(16(22)25)5-10(17)6-12(15)18/h3-6,8-9H,7H2,1-2H3,(H,21,24)
InChIKeyYUMUXCWGDQFQRF-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.12
Rot. Bonds4

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 39061483) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID39061483
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H15Cl2N5O2/c1-9(2)23-13(3-4-20-23)21-14(24)7-22-8-19-15-11(16(22)25)5-10(17)6-12(15)18/h3-6,8-9H,7H2,1-2H3,(H,21,24)
InChIKeyYUMUXCWGDQFQRF-UHFFFAOYSA-N
XLogP3.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
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,N-di(propan-2-yl)acetamide
CID 18195110
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46605877
N-[(2R)-butan-2-yl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 30759801
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 39061483) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is YUMUXCWGDQFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-9(2)23-13(3-4-20-23)21-14(24)7-22-8-19-15-11(16(22)25)5-10(17)6-12(15)18/h3-6,8-9H,7H2,1-2H3,(H,21,24).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 39061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).