2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide

C18H15FN4O4 — CID 46399434

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H15FN4O4/c1-21(9-12-4-2-3-5-16(12)23(26)27)17(24)10-22-11-20-15-7-6-13(19)8-14(15)18(22)25/h2-8,11H,9-10H2,1H3
InChIKeyDDTUICWHTNVVTJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.10
Rot. Bonds5

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 46399434) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID46399434
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H15FN4O4/c1-21(9-12-4-2-3-5-16(12)23(26)27)17(24)10-22-11-20-15-7-6-13(19)8-14(15)18(22)25/h2-8,11H,9-10H2,1H3
InChIKeyDDTUICWHTNVVTJ-UHFFFAOYSA-N
XLogP2.10
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
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-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51215358
N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55580126
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46413115
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 18203184
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575810
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30837290

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide (CID 46399434) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is DDTUICWHTNVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-21(9-12-4-2-3-5-16(12)23(26)27)17(24)10-22-11-20-15-7-6-13(19)8-14(15)18(22)25/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 370.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 46399434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).