2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C18H13Cl4N3O2 — CID 27912189

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C18H13Cl4N3O2/c1-24(7-10-2-3-13(20)14(21)4-10)16(26)8-25-9-23-17-12(18(25)27)5-11(19)6-15(17)22/h2-6,9H,7-8H2,1H3
InChIKeyDWDGCVXBPOHDDJ-UHFFFAOYSA-N
MW445.13 g/mol
LogP4.67
Rot. Bonds4

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 27912189) has the molecular formula C18H13Cl4N3O2 and a molecular weight of 445.13 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID27912189
Molecular FormulaC18H13Cl4N3O2
Molecular Weight445.13 g/mol
Exact Mass442.98
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C18H13Cl4N3O2/c1-24(7-10-2-3-13(20)14(21)4-10)16(26)8-25-9-23-17-12(18(25)27)5-11(19)6-15(17)22/h2-6,9H,7-8H2,1H3
InChIKeyDWDGCVXBPOHDDJ-UHFFFAOYSA-N
XLogP4.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.13
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16560939
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-[(3-chlorophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27795386
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 30759853
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
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-[(3,4-dichlorophenyl)methyl]-2-[6-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-4-oxoquinazolin-3-yl]-N-methylacetamide
CID 122603797
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 30238107

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 27912189) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is DWDGCVXBPOHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl4N3O2/c1-24(7-10-2-3-13(20)14(21)4-10)16(26)8-25-9-23-17-12(18(25)27)5-11(19)6-15(17)22/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 445.13 g/mol, XLogP of 4.67, 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-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 27912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).