4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide

C24H19N7O2 — CID 66763741

IUPAC4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12
InChIInChI=1S/C24H19N7O2/c25-22(32)17-5-2-6-18-21(17)29-13-30-23(18)26-11-14-3-1-4-16(9-14)31-24(33)15-7-8-19-20(10-15)28-12-27-19/h1-10,12-13H,11H2,(H2,25,32)(H,27,28)(H,31,33)(H,26,29,30)
InChIKeyQQCDNHWVJDMTCC-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.47
Rot. Bonds6

About 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763741) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763741
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12
InChIInChI=1S/C24H19N7O2/c25-22(32)17-5-2-6-18-21(17)29-13-30-23(18)26-11-14-3-1-4-16(9-14)31-24(33)15-7-8-19-20(10-15)28-12-27-19/h1-10,12-13H,11H2,(H2,25,32)(H,27,28)(H,31,33)(H,26,29,30)
InChIKeyQQCDNHWVJDMTCC-UHFFFAOYSA-N
XLogP3.47
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide (CID 66763741) is 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12.
What is the InChIKey of 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is QQCDNHWVJDMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c25-22(32)17-5-2-6-18-21(17)29-13-30-23(18)26-11-14-3-1-4-16(9-14)31-24(33)15-7-8-19-20(10-15)28-12-27-19/h1-10,12-13H,11H2,(H2,25,32)(H,27,28)(H,31,33)(H,26,29,30).
What are the key properties of 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3H-benzimidazole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).