N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine

C16H13FN4O4 — CID 10337538

IUPACN-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C16H13FN4O4/c1-24-14-6-10-12(7-15(14)25-2)18-8-19-16(10)20-9-3-4-11(17)13(5-9)21(22)23/h3-8H,1-2H3,(H,18,19,20)
InChIKeyHXUFTFVASKITBU-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.44
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine

N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 10337538) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID10337538
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C16H13FN4O4/c1-24-14-6-10-12(7-15(14)25-2)18-8-19-16(10)20-9-3-4-11(17)13(5-9)21(22)23/h3-8H,1-2H3,(H,18,19,20)
InChIKeyHXUFTFVASKITBU-UHFFFAOYSA-N
XLogP3.44
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.44
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

7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-fluoro-3-nitrophenyl)piperazine-1-carboxamide
CID 22707479
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526
[4-(3-ethynyl-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate
CID 45140352
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
2-[4-(3,4-difluoroanilino)-7-methoxyquinazolin-6-yl]acetate
CID 163197421
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-[5-(2-nitroimidazol-1-yl)pentoxy]quinazolin-4-amine
CID 118724342
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
2-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethoxy]ethoxy]ethanol
CID 10624089
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine (CID 10337538) is N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2cc1OC.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is HXUFTFVASKITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c1-24-14-6-10-12(7-15(14)25-2)18-8-19-16(10)20-9-3-4-11(17)13(5-9)21(22)23/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 10337538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).