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

C22H19N3O4 — CID 58346077

IUPAC2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1
InChIInChI=1S/C22H19N3O4/c26-20(27)14-15-5-4-6-16(13-15)18-9-10-19-21(24-18)25(11-12-29-19)22(28)23-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,23,28)(H,26,27)
InChIKeyALMVCWUPSYGEMW-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.81
Rot. Bonds4

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

2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid (PubChem CID 58346077) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
PubChem CID58346077
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1
InChIInChI=1S/C22H19N3O4/c26-20(27)14-15-5-4-6-16(13-15)18-9-10-19-21(24-18)25(11-12-29-19)22(28)23-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,23,28)(H,26,27)
InChIKeyALMVCWUPSYGEMW-UHFFFAOYSA-N
XLogP3.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid (CID 58346077) is 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccc2)CCO3)c1.
What is the InChIKey of 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid?
The InChIKey is ALMVCWUPSYGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20(27)14-15-5-4-6-16(13-15)18-9-10-19-21(24-18)25(11-12-29-19)22(28)23-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,23,28)(H,26,27).
What are the key properties of 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid?
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid has a molecular weight of 389.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid is sourced from PubChem (CID 58346077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).