2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid

C16H17N3O4 — CID 119214947

IUPAC2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C16H17N3O4/c20-14(21)9-16(5-7-23-8-6-16)19-15(22)13-10-17-11-3-1-2-4-12(11)18-13/h1-4,10H,5-9H2,(H,19,22)(H,20,21)
InChIKeyARDBZDNXDHOEPW-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid

2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid (PubChem CID 119214947) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
PubChem CID119214947
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C16H17N3O4/c20-14(21)9-16(5-7-23-8-6-16)19-15(22)13-10-17-11-3-1-2-4-12(11)18-13/h1-4,10H,5-9H2,(H,19,22)(H,20,21)
InChIKeyARDBZDNXDHOEPW-UHFFFAOYSA-N
XLogP1.38
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid (CID 119214947) is 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2cnc3ccccc3n2)CCOCC1.
What is the InChIKey of 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid?
The InChIKey is ARDBZDNXDHOEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-14(21)9-16(5-7-23-8-6-16)19-15(22)13-10-17-11-3-1-2-4-12(11)18-13/h1-4,10H,5-9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid?
2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid is sourced from PubChem (CID 119214947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).