4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid

C13H14N4O3 — CID 63263648

IUPAC4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid
SMILESCNC(=O)CN(C)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N4O3/c1-14-11(18)6-17(2)12-9-4-3-8(13(19)20)5-10(9)15-7-16-12/h3-5,7H,6H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyXVURKLYGUSNYTO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.51
Rot. Bonds4

About 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid

4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid (PubChem CID 63263648) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid
PubChem CID63263648
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid
SMILESCNC(=O)CN(C)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N4O3/c1-14-11(18)6-17(2)12-9-4-3-8(13(19)20)5-10(9)15-7-16-12/h3-5,7H,6H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyXVURKLYGUSNYTO-UHFFFAOYSA-N
XLogP0.51
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid (CID 63263648) is 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid is CNC(=O)CN(C)c1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid?
The InChIKey is XVURKLYGUSNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-14-11(18)6-17(2)12-9-4-3-8(13(19)20)5-10(9)15-7-16-12/h3-5,7H,6H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid?
4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).