2-imidazol-1-ylquinazoline-4-carboxamide

C12H9N5O — CID 172628387

IUPAC2-imidazol-1-ylquinazoline-4-carboxamide
SMILESNC(=O)c1nc(-n2ccnc2)nc2ccccc12
InChIInChI=1S/C12H9N5O/c13-11(18)10-8-3-1-2-4-9(8)15-12(16-10)17-6-5-14-7-17/h1-7H,(H2,13,18)
InChIKeyXYJQGDXEFLABBA-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.91
Rot. Bonds2

About 2-imidazol-1-ylquinazoline-4-carboxamide

2-imidazol-1-ylquinazoline-4-carboxamide (PubChem CID 172628387) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-imidazol-1-ylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-ylquinazoline-4-carboxamide
PubChem CID172628387
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name2-imidazol-1-ylquinazoline-4-carboxamide
SMILESNC(=O)c1nc(-n2ccnc2)nc2ccccc12
InChIInChI=1S/C12H9N5O/c13-11(18)10-8-3-1-2-4-9(8)15-12(16-10)17-6-5-14-7-17/h1-7H,(H2,13,18)
InChIKeyXYJQGDXEFLABBA-UHFFFAOYSA-N
XLogP0.91
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
CID 19392238
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
CID 19392337
2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
CID 150286970
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
CID 80868519
2-chloro-4-imidazol-1-ylquinazoline
CID 15187963
4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 1266457
1,2,3-benzotriazine-4-carboxamide
CID 90188678
2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
CID 139645178
N-[(4-chlorophenyl)methyl]-2-imidazol-1-ylquinoline-4-carboxamide
CID 175093901
1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80843144
4-imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylquinazoline-4-carboxamide?
The IUPAC name of 2-imidazol-1-ylquinazoline-4-carboxamide (CID 172628387) is 2-imidazol-1-ylquinazoline-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-ylquinazoline-4-carboxamide?
The canonical SMILES for 2-imidazol-1-ylquinazoline-4-carboxamide is NC(=O)c1nc(-n2ccnc2)nc2ccccc12.
What is the InChIKey of 2-imidazol-1-ylquinazoline-4-carboxamide?
The InChIKey is XYJQGDXEFLABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-11(18)10-8-3-1-2-4-9(8)15-12(16-10)17-6-5-14-7-17/h1-7H,(H2,13,18).
What are the key properties of 2-imidazol-1-ylquinazoline-4-carboxamide?
2-imidazol-1-ylquinazoline-4-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylquinazoline-4-carboxamide is sourced from PubChem (CID 172628387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).