7-fluoro-6-nitroquinazoline-2,4-diamine

C8H6FN5O2 — CID 7103331

IUPAC7-fluoro-6-nitroquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc([N+](=O)[O-])c(F)cc2n1
InChIInChI=1S/C8H6FN5O2/c9-4-2-5-3(1-6(4)14(15)16)7(10)13-8(11)12-5/h1-2H,(H4,10,11,12,13)
InChIKeyOWEWOOGZKCQWHW-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.84
Rot. Bonds1

About 7-fluoro-6-nitroquinazoline-2,4-diamine

7-fluoro-6-nitroquinazoline-2,4-diamine (PubChem CID 7103331) has the molecular formula C8H6FN5O2 and a molecular weight of 223.17 g/mol. Its IUPAC name is 7-fluoro-6-nitroquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-fluoro-6-nitroquinazoline-2,4-diamine
PubChem CID7103331
Molecular FormulaC8H6FN5O2
Molecular Weight223.17 g/mol
Exact Mass223.05
IUPAC Name7-fluoro-6-nitroquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc([N+](=O)[O-])c(F)cc2n1
InChIInChI=1S/C8H6FN5O2/c9-4-2-5-3(1-6(4)14(15)16)7(10)13-8(11)12-5/h1-2H,(H4,10,11,12,13)
InChIKeyOWEWOOGZKCQWHW-UHFFFAOYSA-N
XLogP0.84
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
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'}

Analyze 7-fluoro-6-nitroquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
CID 87727435
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
5-(4-fluoro-3-nitrophenyl)-1,2,4-triazin-3-amine
CID 114059916
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
6-(2,5-difluoro-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880713
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
2,4-difluoro-5-nitrobenzenediazonium
CID 82972698

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-nitroquinazoline-2,4-diamine?
The IUPAC name of 7-fluoro-6-nitroquinazoline-2,4-diamine (CID 7103331) is 7-fluoro-6-nitroquinazoline-2,4-diamine.
What is the SMILES notation for 7-fluoro-6-nitroquinazoline-2,4-diamine?
The canonical SMILES for 7-fluoro-6-nitroquinazoline-2,4-diamine is Nc1nc(N)c2cc([N+](=O)[O-])c(F)cc2n1.
What is the InChIKey of 7-fluoro-6-nitroquinazoline-2,4-diamine?
The InChIKey is OWEWOOGZKCQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O2/c9-4-2-5-3(1-6(4)14(15)16)7(10)13-8(11)12-5/h1-2H,(H4,10,11,12,13).
What are the key properties of 7-fluoro-6-nitroquinazoline-2,4-diamine?
7-fluoro-6-nitroquinazoline-2,4-diamine has a molecular weight of 223.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-nitroquinazoline-2,4-diamine is sourced from PubChem (CID 7103331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).