6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione

C20H23N5O2 — CID 168952710

IUPAC6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione
SMILESNc1ccc2c(c1)c(=O)n(-c1ccncc1)c(=O)n2CCN1CCCCC1
InChIInChI=1S/C20H23N5O2/c21-15-4-5-18-17(14-15)19(26)25(16-6-8-22-9-7-16)20(27)24(18)13-12-23-10-2-1-3-11-23/h4-9,14H,1-3,10-13,21H2
InChIKeyUDOBSYUIBXTDHL-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.62
Rot. Bonds4

About 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione

6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione (PubChem CID 168952710) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione
PubChem CID168952710
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione
SMILESNc1ccc2c(c1)c(=O)n(-c1ccncc1)c(=O)n2CCN1CCCCC1
InChIInChI=1S/C20H23N5O2/c21-15-4-5-18-17(14-15)19(26)25(16-6-8-22-9-7-16)20(27)24(18)13-12-23-10-2-1-3-11-23/h4-9,14H,1-3,10-13,21H2
InChIKeyUDOBSYUIBXTDHL-UHFFFAOYSA-N
XLogP1.62
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione?
The IUPAC name of 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione (CID 168952710) is 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione?
The canonical SMILES for 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione is Nc1ccc2c(c1)c(=O)n(-c1ccncc1)c(=O)n2CCN1CCCCC1.
What is the InChIKey of 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione?
The InChIKey is UDOBSYUIBXTDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-15-4-5-18-17(14-15)19(26)25(16-6-8-22-9-7-16)20(27)24(18)13-12-23-10-2-1-3-11-23/h4-9,14H,1-3,10-13,21H2.
What are the key properties of 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione?
6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione has a molecular weight of 365.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-piperidin-1-ylethyl)-3-pyridin-4-ylquinazoline-2,4-dione is sourced from PubChem (CID 168952710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).