4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine

C24H24FN3O — CID 146273986

IUPAC4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
SMILESCc1ccc(C2(Nc3nccc4c3N(Cc3cccc(F)c3)CCO4)CC2)cc1
InChIInChI=1S/C24H24FN3O/c1-17-5-7-19(8-6-17)24(10-11-24)27-23-22-21(9-12-26-23)29-14-13-28(22)16-18-3-2-4-20(25)15-18/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,26,27)
InChIKeyRSENRZOCMWHWNH-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.03
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine

4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine (PubChem CID 146273986) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
PubChem CID146273986
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
SMILESCc1ccc(C2(Nc3nccc4c3N(Cc3cccc(F)c3)CCO4)CC2)cc1
InChIInChI=1S/C24H24FN3O/c1-17-5-7-19(8-6-17)24(10-11-24)27-23-22-21(9-12-26-23)29-14-13-28(22)16-18-3-2-4-20(25)15-18/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,26,27)
InChIKeyRSENRZOCMWHWNH-UHFFFAOYSA-N
XLogP5.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine (CID 146273986) is 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine is Cc1ccc(C2(Nc3nccc4c3N(Cc3cccc(F)c3)CCO4)CC2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The InChIKey is RSENRZOCMWHWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-17-5-7-19(8-6-17)24(10-11-24)27-23-22-21(9-12-26-23)29-14-13-28(22)16-18-3-2-4-20(25)15-18/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,26,27).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine has a molecular weight of 389.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine is sourced from PubChem (CID 146273986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).