N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C18H24N4O2 — CID 135512369

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-21-11-9-13(10-12-21)22(2)17(23)8-7-16-19-15-6-4-3-5-14(15)18(24)20-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,24)
InChIKeyQTZNRBYAOHYIMB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135512369) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135512369
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-21-11-9-13(10-12-21)22(2)17(23)8-7-16-19-15-6-4-3-5-14(15)18(24)20-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,24)
InChIKeyQTZNRBYAOHYIMB-UHFFFAOYSA-N
XLogP1.41
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135512369) is N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CN1CCC(N(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is QTZNRBYAOHYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-11-9-13(10-12-21)22(2)17(23)8-7-16-19-15-6-4-3-5-14(15)18(24)20-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,24).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135512369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).