2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine

C21H30FN3 — CID 123801406

IUPAC2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine
SMILESCCCCCCN(CCC)c1nc(C2CC2)nc2cc(F)c(C)cc12
InChIInChI=1S/C21H30FN3/c1-4-6-7-8-12-25(11-5-2)21-17-13-15(3)18(22)14-19(17)23-20(24-21)16-9-10-16/h13-14,16H,4-12H2,1-3H3
InChIKeyACEDLIZCFFUWPZ-UHFFFAOYSA-N
MW343.49 g/mol
LogP5.75
Rot. Bonds9

About 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine

2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine (PubChem CID 123801406) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine
PubChem CID123801406
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine
SMILESCCCCCCN(CCC)c1nc(C2CC2)nc2cc(F)c(C)cc12
InChIInChI=1S/C21H30FN3/c1-4-6-7-8-12-25(11-5-2)21-17-13-15(3)18(22)14-19(17)23-20(24-21)16-9-10-16/h13-14,16H,4-12H2,1-3H3
InChIKeyACEDLIZCFFUWPZ-UHFFFAOYSA-N
XLogP5.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine?
The IUPAC name of 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine (CID 123801406) is 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine?
The canonical SMILES for 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine is CCCCCCN(CCC)c1nc(C2CC2)nc2cc(F)c(C)cc12.
What is the InChIKey of 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine?
The InChIKey is ACEDLIZCFFUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3/c1-4-6-7-8-12-25(11-5-2)21-17-13-15(3)18(22)14-19(17)23-20(24-21)16-9-10-16/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine?
2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine has a molecular weight of 343.49 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-fluoro-N-hexyl-6-methyl-N-propylquinazolin-4-amine is sourced from PubChem (CID 123801406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).