1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione

C18H25N3O3 — CID 46223528

IUPAC1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)n(CCN2CCOCC2)c(=O)c2ccccc21
InChIInChI=1S/C18H25N3O3/c1-14(2)13-21-16-6-4-3-5-15(16)17(22)20(18(21)23)8-7-19-9-11-24-12-10-19/h3-6,14H,7-13H2,1-2H3
InChIKeyWOVFVIUDSLRBGQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.15
Rot. Bonds5

About 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione

1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione (PubChem CID 46223528) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
PubChem CID46223528
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)n(CCN2CCOCC2)c(=O)c2ccccc21
InChIInChI=1S/C18H25N3O3/c1-14(2)13-21-16-6-4-3-5-15(16)17(22)20(18(21)23)8-7-19-9-11-24-12-10-19/h3-6,14H,7-13H2,1-2H3
InChIKeyWOVFVIUDSLRBGQ-UHFFFAOYSA-N
XLogP1.15
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylbutyl)-4-(2-methylpropyl)piperazine;3-(3-methylbutyl)-1-(2-methylpropyl)quinazoline-2,4-dione
CID 161337355
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
CID 10267337
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
3-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydro-1H-isoquinolin-2-yl)propyl]-1-(2-methylpropyl)quinazoline-2,4-dione
CID 170591272
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
CID 142227752
1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 21273406
1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione
CID 1210300
10-(2-methylpropyl)acridin-9-one
CID 59742563

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione (CID 46223528) is 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione is CC(C)Cn1c(=O)n(CCN2CCOCC2)c(=O)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione?
The InChIKey is WOVFVIUDSLRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(2)13-21-16-6-4-3-5-15(16)17(22)20(18(21)23)8-7-19-9-11-24-12-10-19/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione?
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 46223528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).