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

C19H17Cl2N3O2 — CID 4809057

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-3-5-13(6-4-12)9-23(2)17(25)10-24-11-22-18-15(19(24)26)7-14(20)8-16(18)21/h3-8,11H,9-10H2,1-2H3
InChIKeySMIZDMNLSJFEQA-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.67
Rot. Bonds4

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

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 4809057) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID4809057
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-3-5-13(6-4-12)9-23(2)17(25)10-24-11-22-18-15(19(24)26)7-14(20)8-16(18)21/h3-8,11H,9-10H2,1-2H3
InChIKeySMIZDMNLSJFEQA-UHFFFAOYSA-N
XLogP3.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
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-(thiophen-2-ylmethyl)acetamide
CID 16560939
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
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-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 30759853
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 4809057) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SMIZDMNLSJFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12-3-5-13(6-4-12)9-23(2)17(25)10-24-11-22-18-15(19(24)26)7-14(20)8-16(18)21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.67, 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-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 4809057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).