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

C16H19Cl2N3O2 — CID 18195110

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C(C)C
InChIInChI=1S/C16H19Cl2N3O2/c1-9(2)21(10(3)4)14(22)7-20-8-19-15-12(16(20)23)5-11(17)6-13(15)18/h5-6,8-10H,7H2,1-4H3
InChIKeyPCFGXGXRXGLFGD-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.35
Rot. Bonds4

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

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 18195110) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID18195110
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C(C)C
InChIInChI=1S/C16H19Cl2N3O2/c1-9(2)21(10(3)4)14(22)7-20-8-19-15-12(16(20)23)5-11(17)6-13(15)18/h5-6,8-10H,7H2,1-4H3
InChIKeyPCFGXGXRXGLFGD-UHFFFAOYSA-N
XLogP3.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 30238107
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16560939
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 4132185
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide (CID 18195110) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C(C)C.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is PCFGXGXRXGLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-9(2)21(10(3)4)14(22)7-20-8-19-15-12(16(20)23)5-11(17)6-13(15)18/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 356.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 18195110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).