6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione

C19H28N4O3 — CID 168952788

IUPAC6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESCCOCCn1c(=O)c2cc(N)ccc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C19H28N4O3/c1-2-26-13-12-23-18(24)16-14-15(20)6-7-17(16)22(19(23)25)11-10-21-8-4-3-5-9-21/h6-7,14H,2-5,8-13,20H2,1H3
InChIKeyHBVOBBXUXWSXOX-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.27
Rot. Bonds7

About 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione

6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione (PubChem CID 168952788) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
PubChem CID168952788
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESCCOCCn1c(=O)c2cc(N)ccc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C19H28N4O3/c1-2-26-13-12-23-18(24)16-14-15(20)6-7-17(16)22(19(23)25)11-10-21-8-4-3-5-9-21/h6-7,14H,2-5,8-13,20H2,1H3
InChIKeyHBVOBBXUXWSXOX-UHFFFAOYSA-N
XLogP1.27
TPSA82.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione (CID 168952788) is 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione is CCOCCn1c(=O)c2cc(N)ccc2n(CCN2CCCCC2)c1=O.
What is the InChIKey of 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The InChIKey is HBVOBBXUXWSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-26-13-12-23-18(24)16-14-15(20)6-7-17(16)22(19(23)25)11-10-21-8-4-3-5-9-21/h6-7,14H,2-5,8-13,20H2,1H3.
What are the key properties of 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione has a molecular weight of 360.46 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 168952788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).