N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide

C19H17N3O3 — CID 78340944

IUPACN-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C19H17N3O3/c23-17(20-14-9-10-14)13-7-5-12(6-8-13)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-8,14-15H,9-11H2,(H,20,23)
InChIKeySSEHCWCLZOHUGE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.22
Rot. Bonds4

About N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide

N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide (PubChem CID 78340944) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
PubChem CID78340944
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C19H17N3O3/c23-17(20-14-9-10-14)13-7-5-12(6-8-13)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-8,14-15H,9-11H2,(H,20,23)
InChIKeySSEHCWCLZOHUGE-UHFFFAOYSA-N
XLogP2.22
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
CID 73217734
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
N-cyclopropyl-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919984
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-cyclopropylbenzamide
CID 93061603
4-benzyl-N-cyclopropylbenzamide
CID 45086871
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide (CID 78340944) is N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide is O=C(NC1CC1)c1ccc(CN2C(=O)N=C3C=CC=CC3C2=O)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide?
The InChIKey is SSEHCWCLZOHUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17(20-14-9-10-14)13-7-5-12(6-8-13)11-22-18(24)15-3-1-2-4-16(15)21-19(22)25/h1-8,14-15H,9-11H2,(H,20,23).
What are the key properties of N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide?
N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 78340944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).