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

C23H20N4O2 — CID 10271347

IUPACN-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H20N4O2/c1-15-25-20-8-4-2-6-18(20)23(29)27(15)14-16-10-12-17(13-11-16)22(28)26-21-9-5-3-7-19(21)24/h2-13H,14,24H2,1H3,(H,26,28)
InChIKeyUNYSHAZVCIFGCA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.59
Rot. Bonds4

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

N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 10271347) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID10271347
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H20N4O2/c1-15-25-20-8-4-2-6-18(20)23(29)27(15)14-16-10-12-17(13-11-16)22(28)26-21-9-5-3-7-19(21)24/h2-13H,14,24H2,1H3,(H,26,28)
InChIKeyUNYSHAZVCIFGCA-UHFFFAOYSA-N
XLogP3.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.59
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-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (CID 10271347) is N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is Cc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is UNYSHAZVCIFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-25-20-8-4-2-6-18(20)23(29)27(15)14-16-10-12-17(13-11-16)22(28)26-21-9-5-3-7-19(21)24/h2-13H,14,24H2,1H3,(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.59, 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-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 10271347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).