3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid

C19H17N3O3 — CID 50991114

IUPAC3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CC[C@H](O)C3)nc2c1
InChIInChI=1S/C19H17N3O3/c23-14-8-9-22(11-14)18-17(12-4-2-1-3-5-12)20-15-7-6-13(19(24)25)10-16(15)21-18/h1-7,10,14,23H,8-9,11H2,(H,24,25)/t14-/m0/s1
InChIKeyHHMZHNSQCKBNQA-AWEZNQCLSA-N
MW335.36 g/mol
LogP2.57
Rot. Bonds3

About 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid

3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991114) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991114
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CC[C@H](O)C3)nc2c1
InChIInChI=1S/C19H17N3O3/c23-14-8-9-22(11-14)18-17(12-4-2-1-3-5-12)20-15-7-6-13(19(24)25)10-16(15)21-18/h1-7,10,14,23H,8-9,11H2,(H,24,25)/t14-/m0/s1
InChIKeyHHMZHNSQCKBNQA-AWEZNQCLSA-N
XLogP2.57
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid (CID 50991114) is 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CC[C@H](O)C3)nc2c1.
What is the InChIKey of 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is HHMZHNSQCKBNQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-14-8-9-22(11-14)18-17(12-4-2-1-3-5-12)20-15-7-6-13(19(24)25)10-16(15)21-18/h1-7,10,14,23H,8-9,11H2,(H,24,25)/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid?
3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).