4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline

C15H10FN3O3 — CID 72723169

IUPAC4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline
SMILESO=[N+]([O-])c1ccc2ncnc(OCc3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FN3O3/c16-11-3-1-10(2-4-11)8-22-15-13-7-12(19(20)21)5-6-14(13)17-9-18-15/h1-7,9H,8H2
InChIKeyKQQMDBJNDXLQRB-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.26
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline

4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline (PubChem CID 72723169) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline
PubChem CID72723169
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline
SMILESO=[N+]([O-])c1ccc2ncnc(OCc3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FN3O3/c16-11-3-1-10(2-4-11)8-22-15-13-7-12(19(20)21)5-6-14(13)17-9-18-15/h1-7,9H,8H2
InChIKeyKQQMDBJNDXLQRB-UHFFFAOYSA-N
XLogP3.26
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.26
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

6-(4-fluorophenyl)-4-phenylmethoxyquinazoline
CID 24958786
6-nitro-4-(pyrrolidin-3-ylmethoxy)quinazoline
CID 64588096
6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
CID 64587900
2-(6-nitroquinazolin-4-yl)acetonitrile
CID 64590288
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
CID 65126778
6-nitro-N-[2-(4-phenoxyphenyl)ethyl]quinazolin-4-amine
CID 175100057
6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline
CID 78764907
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
N-benzyl-6-nitroquinazolin-4-amine
CID 5328027
6-nitro-N-(thiophen-3-ylmethyl)quinazolin-4-amine
CID 64590260

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline (CID 72723169) is 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline is O=[N+]([O-])c1ccc2ncnc(OCc3ccc(F)cc3)c2c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline?
The InChIKey is KQQMDBJNDXLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-3-1-10(2-4-11)8-22-15-13-7-12(19(20)21)5-6-14(13)17-9-18-15/h1-7,9H,8H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline?
4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline has a molecular weight of 299.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-6-nitroquinazoline is sourced from PubChem (CID 72723169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).