4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid

C18H19N3O4 — CID 58346104

IUPAC4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid
SMILESO=C(O)CCCc1cnc2c(c1)OCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O4/c22-16(23)8-4-5-13-11-15-17(19-12-13)21(9-10-25-15)18(24)20-14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,20,24)(H,22,23)
InChIKeyMKDJSFSPTBVBHF-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.92
Rot. Bonds5

About 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid

4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid (PubChem CID 58346104) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid
PubChem CID58346104
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid
SMILESO=C(O)CCCc1cnc2c(c1)OCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O4/c22-16(23)8-4-5-13-11-15-17(19-12-13)21(9-10-25-15)18(24)20-14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,20,24)(H,22,23)
InChIKeyMKDJSFSPTBVBHF-UHFFFAOYSA-N
XLogP2.92
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
CID 58346279
tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate
CID 58346017
N-(4-phenylmethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346268
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346086
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
CID 58346019
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
N-(4-chlorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346132
2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
CID 58346121
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346037

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid?
The IUPAC name of 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid (CID 58346104) is 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid.
What is the SMILES notation for 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid?
The canonical SMILES for 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid is O=C(O)CCCc1cnc2c(c1)OCCN2C(=O)Nc1ccccc1.
What is the InChIKey of 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid?
The InChIKey is MKDJSFSPTBVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16(23)8-4-5-13-11-15-17(19-12-13)21(9-10-25-15)18(24)20-14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,20,24)(H,22,23).
What are the key properties of 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid?
4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid has a molecular weight of 341.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid is sourced from PubChem (CID 58346104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).