N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

C21H22N4O3 — CID 3242457

IUPACN-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26)
InChIKeyKQABOGRAVOYUIU-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.56
Rot. Bonds7

About N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 3242457) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID3242457
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26)
InChIKeyKQABOGRAVOYUIU-UHFFFAOYSA-N
XLogP1.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 30510117
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 3242457) is N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is KQABOGRAVOYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26).
What are the key properties of N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 378.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 3242457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).