4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide

C35H34N4O3 — CID 15989179

IUPAC4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C35H34N4O3/c40-33(36-30-19-21-37(22-20-30)23-26-9-3-1-4-10-26)29-17-15-28(16-18-29)25-39-34(41)31-13-7-8-14-32(31)38(35(39)42)24-27-11-5-2-6-12-27/h1-18,30H,19-25H2,(H,36,40)
InChIKeyKIXNPYDZUSPTKM-UHFFFAOYSA-N
MW558.68 g/mol
LogP4.65
Rot. Bonds8

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

4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide (PubChem CID 15989179) has the molecular formula C35H34N4O3 and a molecular weight of 558.68 g/mol. Its IUPAC name is 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide
PubChem CID15989179
Molecular FormulaC35H34N4O3
Molecular Weight558.68 g/mol
Exact Mass558.26
IUPAC Name4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C35H34N4O3/c40-33(36-30-19-21-37(22-20-30)23-26-9-3-1-4-10-26)29-17-15-28(16-18-29)25-39-34(41)31-13-7-8-14-32(31)38(35(39)42)24-27-11-5-2-6-12-27/h1-18,30H,19-25H2,(H,36,40)
InChIKeyKIXNPYDZUSPTKM-UHFFFAOYSA-N
XLogP4.65
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide (CID 15989179) is 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide?
The InChIKey is KIXNPYDZUSPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O3/c40-33(36-30-19-21-37(22-20-30)23-26-9-3-1-4-10-26)29-17-15-28(16-18-29)25-39-34(41)31-13-7-8-14-32(31)38(35(39)42)24-27-11-5-2-6-12-27/h1-18,30H,19-25H2,(H,36,40).
What are the key properties of 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide?
4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide has a molecular weight of 558.68 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-(1-benzylpiperidin-4-yl)benzamide is sourced from PubChem (CID 15989179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).