3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione

C16H21N3O3 — CID 117261828

IUPAC3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3c(OC)cccc3c2=O)CC1
InChIInChI=1S/C16H21N3O3/c1-3-18-9-7-11(8-10-18)19-15(20)12-5-4-6-13(22-2)14(12)17-16(19)21/h4-6,11H,3,7-10H2,1-2H3,(H,17,21)
InChIKeyZCNSSLJICPQKIC-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.36
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione

3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117261828) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
PubChem CID117261828
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCCN1CCC(n2c(=O)[nH]c3c(OC)cccc3c2=O)CC1
InChIInChI=1S/C16H21N3O3/c1-3-18-9-7-11(8-10-18)19-15(20)12-5-4-6-13(22-2)14(12)17-16(19)21/h4-6,11H,3,7-10H2,1-2H3,(H,17,21)
InChIKeyZCNSSLJICPQKIC-UHFFFAOYSA-N
XLogP1.36
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione (CID 117261828) is 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione is CCN1CCC(n2c(=O)[nH]c3c(OC)cccc3c2=O)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is ZCNSSLJICPQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-18-9-7-11(8-10-18)19-15(20)12-5-4-6-13(22-2)14(12)17-16(19)21/h4-6,11H,3,7-10H2,1-2H3,(H,17,21).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione?
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).