4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

C24H21N3O3 — CID 78377334

IUPAC4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN3C(=O)N=C4C=CC=CC4C3=O)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-6-8-17(9-7-16)14-25-22(28)19-12-10-18(11-13-19)15-27-23(29)20-4-2-3-5-21(20)26-24(27)30/h2-13,20H,14-15H2,1H3,(H,25,28)
InChIKeyIUVWBATXVURQDS-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.57
Rot. Bonds5

About 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 78377334) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID78377334
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN3C(=O)N=C4C=CC=CC4C3=O)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-6-8-17(9-7-16)14-25-22(28)19-12-10-18(11-13-19)15-27-23(29)20-4-2-3-5-21(20)26-24(27)30/h2-13,20H,14-15H2,1H3,(H,25,28)
InChIKeyIUVWBATXVURQDS-UHFFFAOYSA-N
XLogP3.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
CID 78340944
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 22429968
N-[(4-methylphenyl)methyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1017880
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(4-fluorophenyl)methyl]-4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4590099
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 78377334) is 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(CN3C(=O)N=C4C=CC=CC4C3=O)cc2)cc1.
What is the InChIKey of 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is IUVWBATXVURQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-6-8-17(9-7-16)14-25-22(28)19-12-10-18(11-13-19)15-27-23(29)20-4-2-3-5-21(20)26-24(27)30/h2-13,20H,14-15H2,1H3,(H,25,28).
What are the key properties of 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 78377334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).