3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine

C77H65F4N17O6 — CID 158991321

IUPAC3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
SMILESFc1ccc(N2COc3c(ccc4cccnc34)C2)cc1F.Fc1ccc(N2COc3cccnc3C2)cc1F.c1ccc(N2COc3ncccc3C2)nc1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cncc(N2COc3ncccc3C2)c1
InChIInChI=1S/C17H12F2N2O.C13H10F2N2O.3C12H11N3O.C11H10N4O/c18-14-6-5-13(8-15(14)19)21-9-12-4-3-11-2-1-7-20-16(11)17(12)22-10-21;14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12;1-3-10-8-15(9-16-12(10)14-6-1)11-4-2-5-13-7-11;1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-2-6-13-11(5-1)15-8-10-4-3-7-14-12(10)16-9-15;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h1-8H,9-10H2;1-6H,7-8H2;3*1-7H,8-9H2;1-6H,7-8H2
InChIKeyJQESTXZCQDTAKC-UHFFFAOYSA-N
MW1400.47 g/mol
LogP13.31
Rot. Bonds6

About 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine

3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine (PubChem CID 158991321) has the molecular formula C77H65F4N17O6 and a molecular weight of 1400.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
PubChem CID158991321
Molecular FormulaC77H65F4N17O6
Molecular Weight1400.47 g/mol
Exact Mass1399.52
IUPAC Name3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
SMILESFc1ccc(N2COc3c(ccc4cccnc34)C2)cc1F.Fc1ccc(N2COc3cccnc3C2)cc1F.c1ccc(N2COc3ncccc3C2)nc1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cncc(N2COc3ncccc3C2)c1
InChIInChI=1S/C17H12F2N2O.C13H10F2N2O.3C12H11N3O.C11H10N4O/c18-14-6-5-13(8-15(14)19)21-9-12-4-3-11-2-1-7-20-16(11)17(12)22-10-21;14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12;1-3-10-8-15(9-16-12(10)14-6-1)11-4-2-5-13-7-11;1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-2-6-13-11(5-1)15-8-10-4-3-7-14-12(10)16-9-15;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h1-8H,9-10H2;1-6H,7-8H2;3*1-7H,8-9H2;1-6H,7-8H2
InChIKeyJQESTXZCQDTAKC-UHFFFAOYSA-N
XLogP13.31
TPSA216.61 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.47
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?
The IUPAC name of 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine (CID 158991321) is 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine is Fc1ccc(N2COc3c(ccc4cccnc34)C2)cc1F.Fc1ccc(N2COc3cccnc3C2)cc1F.c1ccc(N2COc3ncccc3C2)nc1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cncc(N2COc3ncccc3C2)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?
The InChIKey is JQESTXZCQDTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O.C13H10F2N2O.3C12H11N3O.C11H10N4O/c18-14-6-5-13(8-15(14)19)21-9-12-4-3-11-2-1-7-20-16(11)17(12)22-10-21;14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12;1-3-10-8-15(9-16-12(10)14-6-1)11-4-2-5-13-7-11;1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-2-6-13-11(5-1)15-8-10-4-3-7-14-12(10)16-9-15;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h1-8H,9-10H2;1-6H,7-8H2;3*1-7H,8-9H2;1-6H,7-8H2.
What are the key properties of 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?
3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine has a molecular weight of 1400.47 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine is sourced from PubChem (CID 158991321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).