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

C21H22N4O3 — CID 42123099

IUPAC2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12
InChIInChI=1S/C21H22N4O3/c1-13(2)20(27)24-16-9-7-15(8-10-16)23-18(26)11-25-12-22-19-14(3)5-4-6-17(19)21(25)28/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyYJHWEBHDAWQSSZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.94
Rot. Bonds5

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

2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide (PubChem CID 42123099) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
PubChem CID42123099
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12
InChIInChI=1S/C21H22N4O3/c1-13(2)20(27)24-16-9-7-15(8-10-16)23-18(26)11-25-12-22-19-14(3)5-4-6-17(19)21(25)28/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyYJHWEBHDAWQSSZ-UHFFFAOYSA-N
XLogP2.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide with MolForge

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Related Compounds

2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
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N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
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N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60552793
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
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N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide (CID 42123099) is 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide is Cc1cccc2c(=O)n(CC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12.
What is the InChIKey of 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is YJHWEBHDAWQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)20(27)24-16-9-7-15(8-10-16)23-18(26)11-25-12-22-19-14(3)5-4-6-17(19)21(25)28/h4-10,12-13H,11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 42123099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).