3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

C18H24N4O4 — CID 119663753

IUPAC3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESNCCCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C18H24N4O4/c19-8-3-11-26-13-6-9-21(10-7-13)16(23)12-22-17(24)14-4-1-2-5-15(14)20-18(22)25/h1-2,4-5,13H,3,6-12,19H2,(H,20,25)
InChIKeyUPFIEHZYKHSHKR-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.05
Rot. Bonds6

About 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (PubChem CID 119663753) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
PubChem CID119663753
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESNCCCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C18H24N4O4/c19-8-3-11-26-13-6-9-21(10-7-13)16(23)12-22-17(24)14-4-1-2-5-15(14)20-18(22)25/h1-2,4-5,13H,3,6-12,19H2,(H,20,25)
InChIKeyUPFIEHZYKHSHKR-UHFFFAOYSA-N
XLogP0.05
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (CID 119663753) is 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is NCCCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The InChIKey is UPFIEHZYKHSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c19-8-3-11-26-13-6-9-21(10-7-13)16(23)12-22-17(24)14-4-1-2-5-15(14)20-18(22)25/h1-2,4-5,13H,3,6-12,19H2,(H,20,25).
What are the key properties of 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 119663753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).