2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide

C17H12Cl2N4O4 — CID 30759718

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H12Cl2N4O4/c1-9-2-3-11(6-14(9)23(26)27)21-15(24)7-22-8-20-16-12(17(22)25)4-10(18)5-13(16)19/h2-6,8H,7H2,1H3,(H,21,24)
InChIKeyYVCPGEYSQVPHRN-UHFFFAOYSA-N
MW407.21 g/mol
LogP3.56
Rot. Bonds4

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

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 30759718) has the molecular formula C17H12Cl2N4O4 and a molecular weight of 407.21 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID30759718
Molecular FormulaC17H12Cl2N4O4
Molecular Weight407.21 g/mol
Exact Mass406.02
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H12Cl2N4O4/c1-9-2-3-11(6-14(9)23(26)27)21-15(24)7-22-8-20-16-12(17(22)25)4-10(18)5-13(16)19/h2-6,8H,7H2,1H3,(H,21,24)
InChIKeyYVCPGEYSQVPHRN-UHFFFAOYSA-N
XLogP3.56
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265865
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-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide (CID 30759718) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is YVCPGEYSQVPHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O4/c1-9-2-3-11(6-14(9)23(26)27)21-15(24)7-22-8-20-16-12(17(22)25)4-10(18)5-13(16)19/h2-6,8H,7H2,1H3,(H,21,24).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 407.21 g/mol, XLogP of 3.56, 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-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 30759718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).