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

C21H31N5O2 — CID 168952755

IUPAC6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESCN1CCC(n2c(=O)c3cc(N)ccc3n(CCN3CCCCC3)c2=O)CC1
InChIInChI=1S/C21H31N5O2/c1-23-11-7-17(8-12-23)26-20(27)18-15-16(22)5-6-19(18)25(21(26)28)14-13-24-9-3-2-4-10-24/h5-6,15,17H,2-4,7-14,22H2,1H3
InChIKeySPTGSVVDBCHADX-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.50
Rot. Bonds4

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

6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione (PubChem CID 168952755) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
PubChem CID168952755
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESCN1CCC(n2c(=O)c3cc(N)ccc3n(CCN3CCCCC3)c2=O)CC1
InChIInChI=1S/C21H31N5O2/c1-23-11-7-17(8-12-23)26-20(27)18-15-16(22)5-6-19(18)25(21(26)28)14-13-24-9-3-2-4-10-24/h5-6,15,17H,2-4,7-14,22H2,1H3
InChIKeySPTGSVVDBCHADX-UHFFFAOYSA-N
XLogP1.50
TPSA76.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.50
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-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione (CID 168952755) is 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione is CN1CCC(n2c(=O)c3cc(N)ccc3n(CCN3CCCCC3)c2=O)CC1.
What is the InChIKey of 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The InChIKey is SPTGSVVDBCHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-23-11-7-17(8-12-23)26-20(27)18-15-16(22)5-6-19(18)25(21(26)28)14-13-24-9-3-2-4-10-24/h5-6,15,17H,2-4,7-14,22H2,1H3.
What are the key properties of 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione?
6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione has a molecular weight of 385.51 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 168952755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).