3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid

C22H20N4O2 — CID 67041915

IUPAC3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnc2ccccc2c1
InChIInChI=1S/C22H20N4O2/c1-13(2)26(3)21-20(16-10-14-6-4-5-7-17(14)23-12-16)24-18-9-8-15(22(27)28)11-19(18)25-21/h4-13H,1-3H3,(H,27,28)
InChIKeyKSFBFGMTIZTXTJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.39
Rot. Bonds4

About 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid

3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid (PubChem CID 67041915) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid
PubChem CID67041915
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnc2ccccc2c1
InChIInChI=1S/C22H20N4O2/c1-13(2)26(3)21-20(16-10-14-6-4-5-7-17(14)23-12-16)24-18-9-8-15(22(27)28)11-19(18)25-21/h4-13H,1-3H3,(H,27,28)
InChIKeyKSFBFGMTIZTXTJ-UHFFFAOYSA-N
XLogP4.39
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid (CID 67041915) is 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnc2ccccc2c1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid?
The InChIKey is KSFBFGMTIZTXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13(2)26(3)21-20(16-10-14-6-4-5-7-17(14)23-12-16)24-18-9-8-15(22(27)28)11-19(18)25-21/h4-13H,1-3H3,(H,27,28).
What are the key properties of 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid?
3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-2-quinolin-3-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).