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

C22H20N4O5 — CID 58346121

IUPAC2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C22H20N4O5/c27-20(28)14-31-17-9-5-4-8-16(17)24-19-11-10-18-21(25-19)26(12-13-30-18)22(29)23-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,29)(H,24,25)(H,27,28)
InChIKeyALRIMNFOSYVMDD-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.72
Rot. Bonds6

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

2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid (PubChem CID 58346121) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
PubChem CID58346121
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C22H20N4O5/c27-20(28)14-31-17-9-5-4-8-16(17)24-19-11-10-18-21(25-19)26(12-13-30-18)22(29)23-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,29)(H,24,25)(H,27,28)
InChIKeyALRIMNFOSYVMDD-UHFFFAOYSA-N
XLogP3.72
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid (CID 58346121) is 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid is O=C(O)COc1ccccc1Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2.
What is the InChIKey of 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid?
The InChIKey is ALRIMNFOSYVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c27-20(28)14-31-17-9-5-4-8-16(17)24-19-11-10-18-21(25-19)26(12-13-30-18)22(29)23-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,29)(H,24,25)(H,27,28).
What are the key properties of 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid?
2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid has a molecular weight of 420.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid is sourced from PubChem (CID 58346121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).