1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione

C19H27N3O3 — CID 16660551

IUPAC1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione
SMILESCCC1CCCCN1CCCCn1c(=O)[nH]c(=O)c2cccc(O)c21
InChIInChI=1S/C19H27N3O3/c1-2-14-8-3-4-11-21(14)12-5-6-13-22-17-15(9-7-10-16(17)23)18(24)20-19(22)25/h7,9-10,14,23H,2-6,8,11-13H2,1H3,(H,20,24,25)
InChIKeyPGRROKQGIOCUTA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione

1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione (PubChem CID 16660551) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione
PubChem CID16660551
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione
SMILESCCC1CCCCN1CCCCn1c(=O)[nH]c(=O)c2cccc(O)c21
InChIInChI=1S/C19H27N3O3/c1-2-14-8-3-4-11-21(14)12-5-6-13-22-17-15(9-7-10-16(17)23)18(24)20-19(22)25/h7,9-10,14,23H,2-6,8,11-13H2,1H3,(H,20,24,25)
InChIKeyPGRROKQGIOCUTA-UHFFFAOYSA-N
XLogP2.44
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423195
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 24804900
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1H-indazole-3-carboxamide
CID 154737859
1-dodecyl-2-ethylpiperidine
CID 171569899
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999301
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 10357458
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione?
The IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione (CID 16660551) is 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione.
What is the SMILES notation for 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione?
The canonical SMILES for 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione is CCC1CCCCN1CCCCn1c(=O)[nH]c(=O)c2cccc(O)c21.
What is the InChIKey of 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione?
The InChIKey is PGRROKQGIOCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-14-8-3-4-11-21(14)12-5-6-13-22-17-15(9-7-10-16(17)23)18(24)20-19(22)25/h7,9-10,14,23H,2-6,8,11-13H2,1H3,(H,20,24,25).
What are the key properties of 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione?
1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidin-1-yl)butyl]-8-hydroxyquinazoline-2,4-dione is sourced from PubChem (CID 16660551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).