3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid

C19H17N3O2 — CID 50991023

IUPAC3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1
InChIInChI=1S/C19H17N3O2/c1-22(14-8-9-14)18-17(12-5-3-2-4-6-12)20-15-10-7-13(19(23)24)11-16(15)21-18/h2-7,10-11,14H,8-9H2,1H3,(H,23,24)
InChIKeyIITMEKDTKBWXSY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.59
Rot. Bonds4

About 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid

3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991023) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991023
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1
InChIInChI=1S/C19H17N3O2/c1-22(14-8-9-14)18-17(12-5-3-2-4-6-12)20-15-10-7-13(19(23)24)11-16(15)21-18/h2-7,10-11,14H,8-9H2,1H3,(H,23,24)
InChIKeyIITMEKDTKBWXSY-UHFFFAOYSA-N
XLogP3.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid (CID 50991023) is 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid is CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is IITMEKDTKBWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(14-8-9-14)18-17(12-5-3-2-4-6-12)20-15-10-7-13(19(23)24)11-16(15)21-18/h2-7,10-11,14H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid?
3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).