N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

C32H33ClN4O4 — CID 46247887

IUPACN-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c(=O)c3ccccc32)C1
InChIInChI=1S/C32H33ClN4O4/c1-21-15-22(2)18-35(17-21)29(38)20-36-28-10-6-4-8-26(28)31(40)37(32(36)41)19-23-11-13-24(14-12-23)30(39)34-16-25-7-3-5-9-27(25)33/h3-14,21-22H,15-20H2,1-2H3,(H,34,39)
InChIKeyOSJDHAZXOYSNIS-UHFFFAOYSA-N
MW573.09 g/mol
LogP4.30
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (PubChem CID 46247887) has the molecular formula C32H33ClN4O4 and a molecular weight of 573.09 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
PubChem CID46247887
Molecular FormulaC32H33ClN4O4
Molecular Weight573.09 g/mol
Exact Mass572.22
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c(=O)c3ccccc32)C1
InChIInChI=1S/C32H33ClN4O4/c1-21-15-22(2)18-35(17-21)29(38)20-36-28-10-6-4-8-26(28)31(40)37(32(36)41)19-23-11-13-24(14-12-23)30(39)34-16-25-7-3-5-9-27(25)33/h3-14,21-22H,15-20H2,1-2H3,(H,34,39)
InChIKeyOSJDHAZXOYSNIS-UHFFFAOYSA-N
XLogP4.30
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.09
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429531
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 22429777
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 22429968
4-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 46247676
3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247565
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 46247673
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (CID 46247887) is N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is CC1CC(C)CN(C(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c(=O)c3ccccc32)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is OSJDHAZXOYSNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O4/c1-21-15-22(2)18-35(17-21)29(38)20-36-28-10-6-4-8-26(28)31(40)37(32(36)41)19-23-11-13-24(14-12-23)30(39)34-16-25-7-3-5-9-27(25)33/h3-14,21-22H,15-20H2,1-2H3,(H,34,39).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 573.09 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 46247887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).