N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide

C21H22N4O3 — CID 137300676

IUPACN,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(2)21(28)15-9-7-14(8-10-15)13-22-19(26)12-11-18-23-17-6-4-3-5-16(17)20(27)24-18/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyICXCUNVZDRTOHK-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.87
Rot. Bonds6

About N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide

N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide (PubChem CID 137300676) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
PubChem CID137300676
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(2)21(28)15-9-7-14(8-10-15)13-22-19(26)12-11-18-23-17-6-4-3-5-16(17)20(27)24-18/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyICXCUNVZDRTOHK-UHFFFAOYSA-N
XLogP1.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570299
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide (CID 137300676) is N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide?
The InChIKey is ICXCUNVZDRTOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(2)21(28)15-9-7-14(8-10-15)13-22-19(26)12-11-18-23-17-6-4-3-5-16(17)20(27)24-18/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide?
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 137300676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).