4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C21H21N3O4 — CID 4550261

IUPAC4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O4/c25-19(22-12-16-4-3-11-28-16)15-9-7-14(8-10-15)13-24-20(26)17-5-1-2-6-18(17)23-21(24)27/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,27)
InChIKeyWQESAVPYOQEYAT-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.65
Rot. Bonds5

About 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4550261) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4550261
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O4/c25-19(22-12-16-4-3-11-28-16)15-9-7-14(8-10-15)13-24-20(26)17-5-1-2-6-18(17)23-21(24)27/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,27)
InChIKeyWQESAVPYOQEYAT-UHFFFAOYSA-N
XLogP1.65
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1071254
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
4-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 22589729
6-amino-9-benzyl-8-oxo-N-(oxolan-2-ylmethyl)-7H-purine-2-carboxamide
CID 11977607
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
4-[[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98360090

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 4550261) is 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WQESAVPYOQEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-19(22-12-16-4-3-11-28-16)15-9-7-14(8-10-15)13-24-20(26)17-5-1-2-6-18(17)23-21(24)27/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,27).
What are the key properties of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4550261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).