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

C22H19N3O4 — CID 58346088

IUPACmethyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1
InChIInChI=1S/C22H19N3O4/c1-28-21(26)16-7-5-6-15(14-16)18-10-11-19-20(24-18)25(12-13-29-19)22(27)23-17-8-3-2-4-9-17/h2-11,14H,12-13H2,1H3,(H,23,27)
InChIKeyDSLBIYWASIDWGH-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.97
Rot. Bonds3

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

methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate (PubChem CID 58346088) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
PubChem CID58346088
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1
InChIInChI=1S/C22H19N3O4/c1-28-21(26)16-7-5-6-15(14-16)18-10-11-19-20(24-18)25(12-13-29-19)22(27)23-17-8-3-2-4-9-17/h2-11,14H,12-13H2,1H3,(H,23,27)
InChIKeyDSLBIYWASIDWGH-UHFFFAOYSA-N
XLogP3.97
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58345991
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
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
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
CID 58346254
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346311
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346037
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
2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
CID 58346121
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346010
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346086

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The IUPAC name of methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate (CID 58346088) is methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate.
What is the SMILES notation for methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The canonical SMILES for methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate is COC(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1.
What is the InChIKey of methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
The InChIKey is DSLBIYWASIDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-28-21(26)16-7-5-6-15(14-16)18-10-11-19-20(24-18)25(12-13-29-19)22(27)23-17-8-3-2-4-9-17/h2-11,14H,12-13H2,1H3,(H,23,27).
What are the key properties of methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate?
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate is sourced from PubChem (CID 58346088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).