4H-quinazoline-3-carboxamide;hydrochloride

C9H10ClN3O — CID 67974044

IUPAC4H-quinazoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=Nc2ccccc2C1
InChIInChI=1S/C9H9N3O.ClH/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12;/h1-4,6H,5H2,(H2,10,13);1H
InChIKeyZOUZRMAUJKHANB-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.66
Rot. Bonds

About 4H-quinazoline-3-carboxamide;hydrochloride

4H-quinazoline-3-carboxamide;hydrochloride (PubChem CID 67974044) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 4H-quinazoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4H-quinazoline-3-carboxamide;hydrochloride
PubChem CID67974044
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name4H-quinazoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=Nc2ccccc2C1
InChIInChI=1S/C9H9N3O.ClH/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12;/h1-4,6H,5H2,(H2,10,13);1H
InChIKeyZOUZRMAUJKHANB-UHFFFAOYSA-N
XLogP1.66
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-quinazoline-3-carboxamide;hydrochloride?
The IUPAC name of 4H-quinazoline-3-carboxamide;hydrochloride (CID 67974044) is 4H-quinazoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 4H-quinazoline-3-carboxamide;hydrochloride?
The canonical SMILES for 4H-quinazoline-3-carboxamide;hydrochloride is Cl.NC(=O)N1C=Nc2ccccc2C1.
What is the InChIKey of 4H-quinazoline-3-carboxamide;hydrochloride?
The InChIKey is ZOUZRMAUJKHANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.ClH/c10-9(13)12-5-7-3-1-2-4-8(7)11-6-12;/h1-4,6H,5H2,(H2,10,13);1H.
What are the key properties of 4H-quinazoline-3-carboxamide;hydrochloride?
4H-quinazoline-3-carboxamide;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinazoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 67974044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).