3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione

C20H19N3O4 — CID 167990896

IUPAC3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18(22-9-11-27-12-10-22)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)21-20(23)26/h1-8H,9-13H2,(H,21,26)
InChIKeyJXTOSOJVKHTCTE-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.21
Rot. Bonds3

About 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione

3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 167990896) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
PubChem CID167990896
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18(22-9-11-27-12-10-22)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)21-20(23)26/h1-8H,9-13H2,(H,21,26)
InChIKeyJXTOSOJVKHTCTE-UHFFFAOYSA-N
XLogP1.21
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 3240438
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
2,4-dioxo-3-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-quinazoline-7-carboxylic acid
CID 56771826
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 50793364
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
CID 42955495
3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6619096
3-(1,3-benzodioxol-5-ylmethyl)-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1H-quinazoline-2,4-dione
CID 4124498

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione (CID 167990896) is 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione is O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCOCC1.
What is the InChIKey of 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is JXTOSOJVKHTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(22-9-11-27-12-10-22)15-7-5-14(6-8-15)13-23-19(25)16-3-1-2-4-17(16)21-20(23)26/h1-8H,9-13H2,(H,21,26).
What are the key properties of 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione?
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167990896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).