N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

C14H7ClF2N4O2 — CID 10640649

IUPACN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F
InChIInChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKeyCJOJDNRJDBWZKM-UHFFFAOYSA-N
MW336.69 g/mol
LogP4.21
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine (PubChem CID 10640649) has the molecular formula C14H7ClF2N4O2 and a molecular weight of 336.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
PubChem CID10640649
Molecular FormulaC14H7ClF2N4O2
Molecular Weight336.69 g/mol
Exact Mass336.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F
InChIInChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKeyCJOJDNRJDBWZKM-UHFFFAOYSA-N
XLogP4.21
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 54.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine (CID 10640649) is N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine is O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine?
The InChIKey is CJOJDNRJDBWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine has a molecular weight of 336.69 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine is sourced from PubChem (CID 10640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).