4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid

C16H14N4O2 — CID 1414043

IUPAC4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncnc(NCCc3ccncc3)c12
InChIInChI=1S/C16H14N4O2/c21-16(22)12-2-1-3-13-14(12)15(20-10-19-13)18-9-6-11-4-7-17-8-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,18,19,20)
InChIKeyRXOVXGIJJLGFOH-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.38
Rot. Bonds5

About 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid

4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid (PubChem CID 1414043) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid
PubChem CID1414043
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncnc(NCCc3ccncc3)c12
InChIInChI=1S/C16H14N4O2/c21-16(22)12-2-1-3-13-14(12)15(20-10-19-13)18-9-6-11-4-7-17-8-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,18,19,20)
InChIKeyRXOVXGIJJLGFOH-UHFFFAOYSA-N
XLogP2.38
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid?
The IUPAC name of 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid (CID 1414043) is 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid.
What is the SMILES notation for 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid?
The canonical SMILES for 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid is O=C(O)c1cccc2ncnc(NCCc3ccncc3)c12.
What is the InChIKey of 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid?
The InChIKey is RXOVXGIJJLGFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(22)12-2-1-3-13-14(12)15(20-10-19-13)18-9-6-11-4-7-17-8-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,18,19,20).
What are the key properties of 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid?
4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid is sourced from PubChem (CID 1414043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).