4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate

C15H11N4O2- — CID 6984765

IUPAC4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
SMILESO=C([O-])c1ccc2c(NCc3cccnc3)ncnc2c1
InChIInChI=1S/C15H12N4O2/c20-15(21)11-3-4-12-13(6-11)18-9-19-14(12)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,20,21)(H,17,18,19)/p-1
InChIKeyGSXVHOWFDCJGIW-UHFFFAOYSA-M
MW279.28 g/mol
LogP1.00
Rot. Bonds4

About 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate

4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate (PubChem CID 6984765) has the molecular formula C15H11N4O2- and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate.

Molecular Properties

Compound Name4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
PubChem CID6984765
Molecular FormulaC15H11N4O2-
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
SMILESO=C([O-])c1ccc2c(NCc3cccnc3)ncnc2c1
InChIInChI=1S/C15H12N4O2/c20-15(21)11-3-4-12-13(6-11)18-9-19-14(12)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,20,21)(H,17,18,19)/p-1
InChIKeyGSXVHOWFDCJGIW-UHFFFAOYSA-M
XLogP1.00
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate?
The IUPAC name of 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate (CID 6984765) is 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate.
What is the SMILES notation for 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate?
The canonical SMILES for 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate is O=C([O-])c1ccc2c(NCc3cccnc3)ncnc2c1.
What is the InChIKey of 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate?
The InChIKey is GSXVHOWFDCJGIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)11-3-4-12-13(6-11)18-9-19-14(12)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,20,21)(H,17,18,19)/p-1.
What are the key properties of 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate?
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate has a molecular weight of 279.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate is sourced from PubChem (CID 6984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).