3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C20H27N3O4 — CID 51046817

IUPAC3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC(C)C2)c1=O
InChIInChI=1S/C20H27N3O4/c1-15-7-5-10-21(13-15)18(24)14-23-17-9-4-3-8-16(17)19(25)22(20(23)26)11-6-12-27-2/h3-4,8-9,15H,5-7,10-14H2,1-2H3
InChIKeyOTKKLUAIMRLFDJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.46
Rot. Bonds6

About 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 51046817) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID51046817
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC(C)C2)c1=O
InChIInChI=1S/C20H27N3O4/c1-15-7-5-10-21(13-15)18(24)14-23-17-9-4-3-8-16(17)19(25)22(20(23)26)11-6-12-27-2/h3-4,8-9,15H,5-7,10-14H2,1-2H3
InChIKeyOTKKLUAIMRLFDJ-UHFFFAOYSA-N
XLogP1.46
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
ethyl 1-[2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetyl]piperidine-4-carboxylate
CID 51046827
3-(3-methoxypropyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7116539
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4619820
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046822
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 51046817) is 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC(C)C2)c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is OTKKLUAIMRLFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15-7-5-10-21(13-15)18(24)14-23-17-9-4-3-8-16(17)19(25)22(20(23)26)11-6-12-27-2/h3-4,8-9,15H,5-7,10-14H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 373.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 51046817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).