N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C17H13ClN4O5 — CID 7227403

IUPACN-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C17H13ClN4O5/c1-27-15-5-2-10(18)6-14(15)20-16(23)8-21-9-19-13-4-3-11(22(25)26)7-12(13)17(21)24/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyHBTYLLVMSKWJIC-UHFFFAOYSA-N
MW388.77 g/mol
LogP2.61
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7227403) has the molecular formula C17H13ClN4O5 and a molecular weight of 388.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7227403
Molecular FormulaC17H13ClN4O5
Molecular Weight388.77 g/mol
Exact Mass388.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C17H13ClN4O5/c1-27-15-5-2-10(18)6-14(15)20-16(23)8-21-9-19-13-4-3-11(22(25)26)7-12(13)17(21)24/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyHBTYLLVMSKWJIC-UHFFFAOYSA-N
XLogP2.61
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 30935973
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
N-(5-chloro-2-methoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430077
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 7227403) is N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HBTYLLVMSKWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O5/c1-27-15-5-2-10(18)6-14(15)20-16(23)8-21-9-19-13-4-3-11(22(25)26)7-12(13)17(21)24/h2-7,9H,8H2,1H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 388.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7227403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).