N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C20H21N3O3 — CID 135417654

IUPACN-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1OC
InChIInChI=1S/C20H21N3O3/c1-3-19(24)23(12-14-8-4-7-11-17(14)26-2)13-18-21-16-10-6-5-9-15(16)20(25)22-18/h4-11H,3,12-13H2,1-2H3,(H,21,22,25)
InChIKeyLRSTWFKDEKPTMJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.87
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135417654) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135417654
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1OC
InChIInChI=1S/C20H21N3O3/c1-3-19(24)23(12-14-8-4-7-11-17(14)26-2)13-18-21-16-10-6-5-9-15(16)20(25)22-18/h4-11H,3,12-13H2,1-2H3,(H,21,22,25)
InChIKeyLRSTWFKDEKPTMJ-UHFFFAOYSA-N
XLogP2.87
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]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-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135417654) is N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is LRSTWFKDEKPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-19(24)23(12-14-8-4-7-11-17(14)26-2)13-18-21-16-10-6-5-9-15(16)20(25)22-18/h4-11H,3,12-13H2,1-2H3,(H,21,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135417654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).