N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide

C21H22N4O3 — CID 87026199

IUPACN-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-3-6-18(26)23-15-8-5-9-16(11-15)24-19(27)12-25-13-22-20-14(2)7-4-10-17(20)21(25)28/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZWFRKGYAJCADTF-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.08
Rot. Bonds6

About N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide

N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide (PubChem CID 87026199) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
PubChem CID87026199
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-3-6-18(26)23-15-8-5-9-16(11-15)24-19(27)12-25-13-22-20-14(2)7-4-10-17(20)21(25)28/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZWFRKGYAJCADTF-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
methyl 3-[2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate
CID 46633235
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265865
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide (CID 87026199) is N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The InChIKey is ZWFRKGYAJCADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-6-18(26)23-15-8-5-9-16(11-15)24-19(27)12-25-13-22-20-14(2)7-4-10-17(20)21(25)28/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide has a molecular weight of 378.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 87026199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).