6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine

C18H21FN4O — CID 53318281

IUPAC6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
SMILESCCCCCNc1nc(NCc2ccco2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23)
InChIKeyZIQVHLODGWPIDI-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.58
Rot. Bonds8

About 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine

6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine (PubChem CID 53318281) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
PubChem CID53318281
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
SMILESCCCCCNc1nc(NCc2ccco2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23)
InChIKeyZIQVHLODGWPIDI-UHFFFAOYSA-N
XLogP4.58
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The IUPAC name of 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine (CID 53318281) is 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine.
What is the SMILES notation for 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The canonical SMILES for 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine is CCCCCNc1nc(NCc2ccco2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The InChIKey is ZIQVHLODGWPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine has a molecular weight of 328.39 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine is sourced from PubChem (CID 53318281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).