N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide

C22H18N4O2 — CID 22478660

IUPACN-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N4O2/c23-18-6-2-4-8-20(18)25-21(27)16-11-9-15(10-12-16)13-26-14-24-19-7-3-1-5-17(19)22(26)28/h1-12,14H,13,23H2,(H,25,27)
InChIKeyIJAUCUHJKNNFJY-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.28
Rot. Bonds4

About N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 22478660) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID22478660
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N4O2/c23-18-6-2-4-8-20(18)25-21(27)16-11-9-15(10-12-16)13-26-14-24-19-7-3-1-5-17(19)22(26)28/h1-12,14H,13,23H2,(H,25,27)
InChIKeyIJAUCUHJKNNFJY-UHFFFAOYSA-N
XLogP3.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide (CID 22478660) is N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is IJAUCUHJKNNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-18-6-2-4-8-20(18)25-21(27)16-11-9-15(10-12-16)13-26-14-24-19-7-3-1-5-17(19)22(26)28/h1-12,14H,13,23H2,(H,25,27).
What are the key properties of N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 22478660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).