2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione

C20H19NO4 — CID 57149722

IUPAC2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione
SMILESCc1nc2c(c(=O)o1)C(c1ccccc1)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C20H19NO4/c1-11-21-18-17(19(23)24-11)15(12-7-5-4-6-8-12)16-13(22)9-20(2,3)10-14(16)25-18/h4-8,15H,9-10H2,1-3H3
InChIKeyMBZYYBSRRLAJAP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.51
Rot. Bonds1

About 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione

2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione (PubChem CID 57149722) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione.

Molecular Properties

Compound Name2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione
PubChem CID57149722
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione
SMILESCc1nc2c(c(=O)o1)C(c1ccccc1)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C20H19NO4/c1-11-21-18-17(19(23)24-11)15(12-7-5-4-6-8-12)16-13(22)9-20(2,3)10-14(16)25-18/h4-8,15H,9-10H2,1-3H3
InChIKeyMBZYYBSRRLAJAP-UHFFFAOYSA-N
XLogP3.51
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione with MolForge

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Related Compounds

3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 12996042
(5S)-4-amino-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one
CID 7177275
(9R)-13-(2-bromophenyl)-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 40971422
(5S)-3-benzyl-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
CID 98174229
13-(2-methoxyphenyl)-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 3928237
(9S)-9-(4-methoxyphenyl)-5,5-dimethyl-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 2024583
3,3,6,6-tetramethyl-9-(3-methylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 102422546
(9S)-5,5-dimethyl-13-phenyl-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 41029383
(4R)-2-amino-7,7-dimethyl-3-nitro-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 6541236
9-(4-ethylphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1049991
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789

Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione?
The IUPAC name of 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione (CID 57149722) is 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione.
What is the SMILES notation for 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione?
The canonical SMILES for 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione is Cc1nc2c(c(=O)o1)C(c1ccccc1)C1=C(CC(C)(C)CC1=O)O2.
What is the InChIKey of 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione?
The InChIKey is MBZYYBSRRLAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-21-18-17(19(23)24-11)15(12-7-5-4-6-8-12)16-13(22)9-20(2,3)10-14(16)25-18/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione?
2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione has a molecular weight of 337.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d][1,3]oxazine-4,6-dione is sourced from PubChem (CID 57149722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).