3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid

C19H17N3O3 — CID 50992023

IUPAC3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C19H17N3O3/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-25-11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)
InChIKeyRVIHPCCTLCBNIH-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.83
Rot. Bonds3

About 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid

3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50992023) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50992023
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C19H17N3O3/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-25-11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)
InChIKeyRVIHPCCTLCBNIH-UHFFFAOYSA-N
XLogP2.83
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid (CID 50992023) is 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1.
What is the InChIKey of 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is RVIHPCCTLCBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(24)14-6-7-15-16(12-14)21-18(22-8-10-25-11-9-22)17(20-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24).
What are the key properties of 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid?
3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).