4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine

C15H13FN4 — CID 65336890

IUPAC4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
SMILESCc1cc(Nc2ncnc3cc(N)ccc23)ccc1F
InChIInChI=1S/C15H13FN4/c1-9-6-11(3-5-13(9)16)20-15-12-4-2-10(17)7-14(12)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyKOQBKKOGPCYXBE-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.40
Rot. Bonds2

About 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine

4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine (PubChem CID 65336890) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
PubChem CID65336890
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
SMILESCc1cc(Nc2ncnc3cc(N)ccc23)ccc1F
InChIInChI=1S/C15H13FN4/c1-9-6-11(3-5-13(9)16)20-15-12-4-2-10(17)7-14(12)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyKOQBKKOGPCYXBE-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 22460838
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
4-N-thiophen-3-ylquinazoline-4,7-diamine
CID 66352541
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine (CID 65336890) is 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine is Cc1cc(Nc2ncnc3cc(N)ccc23)ccc1F.
What is the InChIKey of 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine?
The InChIKey is KOQBKKOGPCYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-9-6-11(3-5-13(9)16)20-15-12-4-2-10(17)7-14(12)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine?
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine has a molecular weight of 268.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65336890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).