N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C17H13ClN4O4 — CID 51265865

IUPACN-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cnc12
InChIInChI=1S/C17H13ClN4O4/c1-10-3-2-4-12-16(10)19-9-21(17(12)24)8-15(23)20-11-5-6-13(18)14(7-11)22(25)26/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyQHFSATANQWBDRZ-UHFFFAOYSA-N
MW372.77 g/mol
LogP2.91
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51265865) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51265865
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cnc12
InChIInChI=1S/C17H13ClN4O4/c1-10-3-2-4-12-16(10)19-9-21(17(12)24)8-15(23)20-11-5-6-13(18)14(7-11)22(25)26/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyQHFSATANQWBDRZ-UHFFFAOYSA-N
XLogP2.91
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 52.91
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-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60552793
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51265865) is N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cnc12.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QHFSATANQWBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c1-10-3-2-4-12-16(10)19-9-21(17(12)24)8-15(23)20-11-5-6-13(18)14(7-11)22(25)26/h2-7,9H,8H2,1H3,(H,20,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 372.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).