2H-quinazoline-3-carboxamide

C9H9N3O — CID 67260576

IUPAC2H-quinazoline-3-carboxamide
SMILESNC(=O)N1C=c2ccccc2=NC1
InChIInChI=1S/C9H9N3O/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12/h1-5H,6H2,(H2,10,13)
InChIKeyUCAVIZKQSBARGL-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.60
Rot. Bonds

About 2H-quinazoline-3-carboxamide

2H-quinazoline-3-carboxamide (PubChem CID 67260576) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2H-quinazoline-3-carboxamide.

Molecular Properties

Compound Name2H-quinazoline-3-carboxamide
PubChem CID67260576
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2H-quinazoline-3-carboxamide
SMILESNC(=O)N1C=c2ccccc2=NC1
InChIInChI=1S/C9H9N3O/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12/h1-5H,6H2,(H2,10,13)
InChIKeyUCAVIZKQSBARGL-UHFFFAOYSA-N
XLogP-0.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-quinazoline-3-carboxamide?
The IUPAC name of 2H-quinazoline-3-carboxamide (CID 67260576) is 2H-quinazoline-3-carboxamide.
What is the SMILES notation for 2H-quinazoline-3-carboxamide?
The canonical SMILES for 2H-quinazoline-3-carboxamide is NC(=O)N1C=c2ccccc2=NC1.
What is the InChIKey of 2H-quinazoline-3-carboxamide?
The InChIKey is UCAVIZKQSBARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12/h1-5H,6H2,(H2,10,13).
What are the key properties of 2H-quinazoline-3-carboxamide?
2H-quinazoline-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinazoline-3-carboxamide is sourced from PubChem (CID 67260576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).