methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate

C24H21N3O5 — CID 58345991

IUPACmethyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(C(C)=O)c2)CCO3)cc1
InChIInChI=1S/C24H21N3O5/c1-15(28)18-4-3-5-19(14-18)25-24(30)27-12-13-32-21-11-10-20(26-22(21)27)16-6-8-17(9-7-16)23(29)31-2/h3-11,14H,12-13H2,1-2H3,(H,25,30)
InChIKeyUOWZVRAWIZDHNQ-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.17
Rot. Bonds4

About methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate

methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate (PubChem CID 58345991) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
PubChem CID58345991
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Namemethyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(C(C)=O)c2)CCO3)cc1
InChIInChI=1S/C24H21N3O5/c1-15(28)18-4-3-5-19(14-18)25-24(30)27-12-13-32-21-11-10-20(26-22(21)27)16-6-8-17(9-7-16)23(29)31-2/h3-11,14H,12-13H2,1-2H3,(H,25,30)
InChIKeyUOWZVRAWIZDHNQ-UHFFFAOYSA-N
XLogP4.17
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate with MolForge

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Related Compounds

methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
CID 58346254
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346084
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
7-(3-chlorophenyl)-N-(2-methyl-1H-pyrazol-2-ium-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 163463931
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346311
N-(3-acetylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125184
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233230
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The IUPAC name of methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate (CID 58345991) is methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The canonical SMILES for methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate is COC(=O)c1ccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(C(C)=O)c2)CCO3)cc1.
What is the InChIKey of methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The InChIKey is UOWZVRAWIZDHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-15(28)18-4-3-5-19(14-18)25-24(30)27-12-13-32-21-11-10-20(26-22(21)27)16-6-8-17(9-7-16)23(29)31-2/h3-11,14H,12-13H2,1-2H3,(H,25,30).
What are the key properties of methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate has a molecular weight of 431.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate is sourced from PubChem (CID 58345991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).