N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide

C25H26N4O4 — CID 33345317

IUPACN-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1
InChIInChI=1S/C25H26N4O4/c30-22(13-14-28-21-4-2-1-3-20(21)24(32)27-25(28)33)29(19-11-12-19)15-16-5-7-17(8-6-16)23(31)26-18-9-10-18/h1-8,18-19H,9-15H2,(H,26,31)(H,27,32,33)
InChIKeyUFIKEAMYGAOIKX-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.16
Rot. Bonds8

About N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide (PubChem CID 33345317) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
PubChem CID33345317
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1
InChIInChI=1S/C25H26N4O4/c30-22(13-14-28-21-4-2-1-3-20(21)24(32)27-25(28)33)29(19-11-12-19)15-16-5-7-17(8-6-16)23(31)26-18-9-10-18/h1-8,18-19H,9-15H2,(H,26,31)(H,27,32,33)
InChIKeyUFIKEAMYGAOIKX-UHFFFAOYSA-N
XLogP2.16
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide (CID 33345317) is N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide?
The InChIKey is UFIKEAMYGAOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-22(13-14-28-21-4-2-1-3-20(21)24(32)27-25(28)33)29(19-11-12-19)15-16-5-7-17(8-6-16)23(31)26-18-9-10-18/h1-8,18-19H,9-15H2,(H,26,31)(H,27,32,33).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 33345317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).