N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide

C21H22N4O3 — CID 131941837

IUPACN,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C21H22N4O3/c1-14-12-15(20(27)22-2)9-10-17(14)24-19(26)8-5-11-25-13-23-18-7-4-3-6-16(18)21(25)28/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyMIYNGRLBWNJEDB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.48
Rot. Bonds6

About N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide

N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide (PubChem CID 131941837) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide
PubChem CID131941837
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C21H22N4O3/c1-14-12-15(20(27)22-2)9-10-17(14)24-19(26)8-5-11-25-13-23-18-7-4-3-6-16(18)21(25)28/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyMIYNGRLBWNJEDB-UHFFFAOYSA-N
XLogP2.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide?
The IUPAC name of N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide (CID 131941837) is N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide.
What is the SMILES notation for N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide?
The canonical SMILES for N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide is CNC(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide?
The InChIKey is MIYNGRLBWNJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-12-15(20(27)22-2)9-10-17(14)24-19(26)8-5-11-25-13-23-18-7-4-3-6-16(18)21(25)28/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide?
N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide is sourced from PubChem (CID 131941837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).