4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide

C20H18N6O — CID 66763023

IUPAC4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
InChIInChI=1S/C20H18N6O/c21-19(27)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-26-10-9-22-13-26)14-5-2-1-3-6-14/h1-10,12-13,17H,11H2,(H2,21,27)(H,23,24,25)
InChIKeyZOAQMCSHCNWYTR-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.78
Rot. Bonds6

About 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide

4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide (PubChem CID 66763023) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
PubChem CID66763023
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
InChIInChI=1S/C20H18N6O/c21-19(27)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-26-10-9-22-13-26)14-5-2-1-3-6-14/h1-10,12-13,17H,11H2,(H2,21,27)(H,23,24,25)
InChIKeyZOAQMCSHCNWYTR-UHFFFAOYSA-N
XLogP2.78
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide (CID 66763023) is 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12.
What is the InChIKey of 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide?
The InChIKey is ZOAQMCSHCNWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-19(27)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-26-10-9-22-13-26)14-5-2-1-3-6-14/h1-10,12-13,17H,11H2,(H2,21,27)(H,23,24,25).
What are the key properties of 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide?
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).