7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C22H20FN3O2 — CID 58346187

IUPAC7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1ccc(Cc2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15-7-8-16(12-19(15)23)11-17-13-20-21(24-14-17)26(9-10-28-20)22(27)25-18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,25,27)
InChIKeySQYHAAMCWDXUOV-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.55
Rot. Bonds3

About 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 58346187) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID58346187
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1ccc(Cc2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15-7-8-16(12-19(15)23)11-17-13-20-21(24-14-17)26(9-10-28-20)22(27)25-18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,25,27)
InChIKeySQYHAAMCWDXUOV-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 58346187) is 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1ccc(Cc2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)cc1F.
What is the InChIKey of 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is SQYHAAMCWDXUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15-7-8-16(12-19(15)23)11-17-13-20-21(24-14-17)26(9-10-28-20)22(27)25-18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,25,27).
What are the key properties of 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-4-methylphenyl)methyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 58346187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).