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

C23H22N4O6 — CID 58346010

IUPAC4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)N2CCOc3ccc(Nc4ccc(C(=O)O)cc4)nc32)cc1OC
InChIInChI=1S/C23H22N4O6/c1-31-17-8-7-16(13-19(17)32-2)25-23(30)27-11-12-33-18-9-10-20(26-21(18)27)24-15-5-3-14(4-6-15)22(28)29/h3-10,13H,11-12H2,1-2H3,(H,24,26)(H,25,30)(H,28,29)
InChIKeyFCRZWSOYTMQNJI-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.97
Rot. Bonds6

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

4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid (PubChem CID 58346010) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
PubChem CID58346010
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)N2CCOc3ccc(Nc4ccc(C(=O)O)cc4)nc32)cc1OC
InChIInChI=1S/C23H22N4O6/c1-31-17-8-7-16(13-19(17)32-2)25-23(30)27-11-12-33-18-9-10-20(26-21(18)27)24-15-5-3-14(4-6-15)22(28)29/h3-10,13H,11-12H2,1-2H3,(H,24,26)(H,25,30)(H,28,29)
InChIKeyFCRZWSOYTMQNJI-UHFFFAOYSA-N
XLogP3.97
TPSA122.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 4-[[4-[(3-methoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoate
CID 58346254
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
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
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
methyl 4-[4-[(3-acetylphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58345991
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114068
2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
CID 13458499
N-[3-[(5-methoxyquinolin-2-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 162669516
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid (CID 58346010) is 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid is COc1ccc(NC(=O)N2CCOc3ccc(Nc4ccc(C(=O)O)cc4)nc32)cc1OC.
What is the InChIKey of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
The InChIKey is FCRZWSOYTMQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-31-17-8-7-16(13-19(17)32-2)25-23(30)27-11-12-33-18-9-10-20(26-21(18)27)24-15-5-3-14(4-6-15)22(28)29/h3-10,13H,11-12H2,1-2H3,(H,24,26)(H,25,30)(H,28,29).
What are the key properties of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid?
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid has a molecular weight of 450.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid is sourced from PubChem (CID 58346010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).