2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

C20H20F2N4O3 — CID 58405852

IUPAC2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCCC12COCCN1c1nc(CC(=O)c3ccc(F)cc3F)ncc1N(C)C2=O
InChIInChI=1S/C20H20F2N4O3/c1-3-20-11-29-7-6-26(20)18-15(25(2)19(20)28)10-23-17(24-18)9-16(27)13-5-4-12(21)8-14(13)22/h4-5,8,10H,3,6-7,9,11H2,1-2H3
InChIKeyICIQYUDOHVRCIP-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (PubChem CID 58405852) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
PubChem CID58405852
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCCC12COCCN1c1nc(CC(=O)c3ccc(F)cc3F)ncc1N(C)C2=O
InChIInChI=1S/C20H20F2N4O3/c1-3-20-11-29-7-6-26(20)18-15(25(2)19(20)28)10-23-17(24-18)9-16(27)13-5-4-12(21)8-14(13)22/h4-5,8,10H,3,6-7,9,11H2,1-2H3
InChIKeyICIQYUDOHVRCIP-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one with MolForge

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Related Compounds

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CID 114950493
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
CID 61432852
1-(2,4-difluorophenyl)-4-(4-methyl-2-phenylpiperazin-1-yl)butane-1,4-dione
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3-[3-(2,4-difluorophenyl)-3-oxopropyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 166324521
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
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N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,4-difluoro-N-(2-morpholin-4-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (CID 58405852) is 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is CCC12COCCN1c1nc(CC(=O)c3ccc(F)cc3F)ncc1N(C)C2=O.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The InChIKey is ICIQYUDOHVRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-3-20-11-29-7-6-26(20)18-15(25(2)19(20)28)10-23-17(24-18)9-16(27)13-5-4-12(21)8-14(13)22/h4-5,8,10H,3,6-7,9,11H2,1-2H3.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one has a molecular weight of 402.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is sourced from PubChem (CID 58405852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).