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

C18H18N4O2 — CID 67041931

IUPAC3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cccnc1
InChIInChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(13-5-4-8-19-10-13)20-14-7-6-12(18(23)24)9-15(14)21-17/h4-11H,1-3H3,(H,23,24)
InChIKeyGGZSTHJCJLFQGE-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.23
Rot. Bonds4

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

3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid (PubChem CID 67041931) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid
PubChem CID67041931
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cccnc1
InChIInChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(13-5-4-8-19-10-13)20-14-7-6-12(18(23)24)9-15(14)21-17/h4-11H,1-3H3,(H,23,24)
InChIKeyGGZSTHJCJLFQGE-UHFFFAOYSA-N
XLogP3.23
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.23
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-pyridin-3-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid (CID 67041931) is 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cccnc1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid?
The InChIKey is GGZSTHJCJLFQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(2)22(3)17-16(13-5-4-8-19-10-13)20-14-7-6-12(18(23)24)9-15(14)21-17/h4-11H,1-3H3,(H,23,24).
What are the key properties of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid?
3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylquinoxaline-6-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 3.23, 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-pyridin-3-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).