4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline

C16H12FN3O3 — CID 132917950

IUPAC4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline
SMILESCCOc1nc(-c2ccc([N+](=O)[O-])cc2)nc2cc(F)ccc12
InChIInChI=1S/C16H12FN3O3/c1-2-23-16-13-8-5-11(17)9-14(13)18-15(19-16)10-3-6-12(7-4-10)20(21)22/h3-9H,2H2,1H3
InChIKeyUSDBXTMEBPIQSZ-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.74
Rot. Bonds4

About 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline

4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline (PubChem CID 132917950) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline.

Molecular Properties

Compound Name4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline
PubChem CID132917950
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline
SMILESCCOc1nc(-c2ccc([N+](=O)[O-])cc2)nc2cc(F)ccc12
InChIInChI=1S/C16H12FN3O3/c1-2-23-16-13-8-5-11(17)9-14(13)18-15(19-16)10-3-6-12(7-4-10)20(21)22/h3-9H,2H2,1H3
InChIKeyUSDBXTMEBPIQSZ-UHFFFAOYSA-N
XLogP3.74
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-ethoxy-2-methylsulfanyl-7-nitroquinazoline
CID 139217051
3-(4-nitrophenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1295817
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
2-(4-methoxyphenyl)-4-methylsulfanyl-6-nitroquinazoline
CID 629928
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 60567668
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline?
The IUPAC name of 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline (CID 132917950) is 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline.
What is the SMILES notation for 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline?
The canonical SMILES for 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline is CCOc1nc(-c2ccc([N+](=O)[O-])cc2)nc2cc(F)ccc12.
What is the InChIKey of 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline?
The InChIKey is USDBXTMEBPIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-2-23-16-13-8-5-11(17)9-14(13)18-15(19-16)10-3-6-12(7-4-10)20(21)22/h3-9H,2H2,1H3.
What are the key properties of 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline?
4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline has a molecular weight of 313.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7-fluoro-2-(4-nitrophenyl)quinazoline is sourced from PubChem (CID 132917950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).