4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

C31H26ClN3O3 — CID 22429968

IUPAC4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc(Cl)cc4)c3=O)cc2)cc1
InChIInChI=1S/C31H26ClN3O3/c1-21-6-8-22(9-7-21)18-33-29(36)25-14-10-23(11-15-25)20-35-30(37)27-4-2-3-5-28(27)34(31(35)38)19-24-12-16-26(32)17-13-24/h2-17H,18-20H2,1H3,(H,33,36)
InChIKeyPLBLPWBURRDVFF-UHFFFAOYSA-N
MW524.02 g/mol
LogP5.15
Rot. Bonds7

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

4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 22429968) has the molecular formula C31H26ClN3O3 and a molecular weight of 524.02 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID22429968
Molecular FormulaC31H26ClN3O3
Molecular Weight524.02 g/mol
Exact Mass523.17
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc(Cl)cc4)c3=O)cc2)cc1
InChIInChI=1S/C31H26ClN3O3/c1-21-6-8-22(9-7-21)18-33-29(36)25-14-10-23(11-15-25)20-35-30(37)27-4-2-3-5-28(27)34(31(35)38)19-24-12-16-26(32)17-13-24/h2-17H,18-20H2,1H3,(H,33,36)
InChIKeyPLBLPWBURRDVFF-UHFFFAOYSA-N
XLogP5.15
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 22429777
N-[(4-methylphenyl)methyl]-4-[[1-[(3-nitrophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 15994809
N-(4-methoxybutyl)-4-[[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 53301901
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
N-(furan-2-ylmethyl)-4-[[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 15995765
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22429669
4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 46247673
N-[2-(4-chlorophenyl)ethyl]-4-[[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247428

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 22429968) is 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc(Cl)cc4)c3=O)cc2)cc1.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is PLBLPWBURRDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O3/c1-21-6-8-22(9-7-21)18-33-29(36)25-14-10-23(11-15-25)20-35-30(37)27-4-2-3-5-28(27)34(31(35)38)19-24-12-16-26(32)17-13-24/h2-17H,18-20H2,1H3,(H,33,36).
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 524.02 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 22429968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).