N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

C31H27N3O3 — CID 50762645

IUPACN-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(Cc4ccccc4C)c3=O)cc2)cc1
InChIInChI=1S/C31H27N3O3/c1-21-11-15-25(16-12-21)32-29(35)19-23-13-17-26(18-14-23)34-30(36)27-9-5-6-10-28(27)33(31(34)37)20-24-8-4-3-7-22(24)2/h3-18H,19-20H2,1-2H3,(H,32,35)
InChIKeyZOBZURSDHNEPGP-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.00
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 50762645) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
PubChem CID50762645
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC NameN-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(Cc4ccccc4C)c3=O)cc2)cc1
InChIInChI=1S/C31H27N3O3/c1-21-11-15-25(16-12-21)32-29(35)19-23-13-17-26(18-14-23)34-30(36)27-9-5-6-10-28(27)33(31(34)37)20-24-8-4-3-7-22(24)2/h3-18H,19-20H2,1-2H3,(H,32,35)
InChIKeyZOBZURSDHNEPGP-UHFFFAOYSA-N
XLogP5.00
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762632
N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762695
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762542
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
CID 22428363
2-[4-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(3-methylbutyl)acetamide
CID 50763139
N-[(4-methylphenyl)methyl]-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428354
N-[(4-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 15989582
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
methyl 4-[[2-[3-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 50763335

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (CID 50762645) is N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(Cc4ccccc4C)c3=O)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is ZOBZURSDHNEPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c1-21-11-15-25(16-12-21)32-29(35)19-23-13-17-26(18-14-23)34-30(36)27-9-5-6-10-28(27)33(31(34)37)20-24-8-4-3-7-22(24)2/h3-18H,19-20H2,1-2H3,(H,32,35).
What are the key properties of N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 50762645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).