6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one

C17H24N4O2 — CID 162429394

IUPAC6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCOCCn1c(C2CCN(C)CC2)nc2ccc(N)cc2c1=O
InChIInChI=1S/C17H24N4O2/c1-20-7-5-12(6-8-20)16-19-15-4-3-13(18)11-14(15)17(22)21(16)9-10-23-2/h3-4,11-12H,5-10,18H2,1-2H3
InChIKeyZATDPAMGURWHMF-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.43
Rot. Bonds4

About 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one

6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one (PubChem CID 162429394) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one
PubChem CID162429394
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCOCCn1c(C2CCN(C)CC2)nc2ccc(N)cc2c1=O
InChIInChI=1S/C17H24N4O2/c1-20-7-5-12(6-8-20)16-19-15-4-3-13(18)11-14(15)17(22)21(16)9-10-23-2/h3-4,11-12H,5-10,18H2,1-2H3
InChIKeyZATDPAMGURWHMF-UHFFFAOYSA-N
XLogP1.43
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one?
The IUPAC name of 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one (CID 162429394) is 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one.
What is the SMILES notation for 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one?
The canonical SMILES for 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one is COCCn1c(C2CCN(C)CC2)nc2ccc(N)cc2c1=O.
What is the InChIKey of 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one?
The InChIKey is ZATDPAMGURWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-7-5-12(6-8-20)16-19-15-4-3-13(18)11-14(15)17(22)21(16)9-10-23-2/h3-4,11-12H,5-10,18H2,1-2H3.
What are the key properties of 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one?
6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one has a molecular weight of 316.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one is sourced from PubChem (CID 162429394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).