2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid

C21H18N4O4 — CID 58346037

IUPAC2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C21H18N4O4/c26-20(27)15-8-4-5-9-16(15)23-18-11-10-17-19(24-18)25(12-13-29-17)21(28)22-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,28)(H,23,24)(H,26,27)
InChIKeyQWNHWJJLNBVXSJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.95
Rot. Bonds4

About 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid

2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid (PubChem CID 58346037) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
PubChem CID58346037
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C21H18N4O4/c26-20(27)15-8-4-5-9-16(15)23-18-11-10-17-19(24-18)25(12-13-29-17)21(28)22-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,28)(H,23,24)(H,26,27)
InChIKeyQWNHWJJLNBVXSJ-UHFFFAOYSA-N
XLogP3.95
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid with MolForge

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Related Compounds

2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
CID 58346121
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346146
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
CID 58346019
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346010
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
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
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
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The IUPAC name of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid (CID 58346037) is 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid is O=C(O)c1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2.
What is the InChIKey of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The InChIKey is QWNHWJJLNBVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-20(27)15-8-4-5-9-16(15)23-18-11-10-17-19(24-18)25(12-13-29-17)21(28)22-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,28)(H,23,24)(H,26,27).
What are the key properties of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid is sourced from PubChem (CID 58346037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).