2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C22H25N3O2 — CID 27016294

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3ccc(C(C)C)cc3)cnc12
InChIInChI=1S/C22H25N3O2/c1-15(2)18-9-7-17(8-10-18)11-12-23-20(26)13-25-14-24-21-16(3)5-4-6-19(21)22(25)27/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
InChIKeyZABJHMMXRVDUFW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.19
Rot. Bonds6

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 27016294) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID27016294
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3ccc(C(C)C)cc3)cnc12
InChIInChI=1S/C22H25N3O2/c1-15(2)18-9-7-17(8-10-18)11-12-23-20(26)13-25-14-24-21-16(3)5-4-6-19(21)22(25)27/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
InChIKeyZABJHMMXRVDUFW-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55733123
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-3-pyridinyl)ethyl]acetamide
CID 136567983
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 27016148
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 27016294) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(C(C)C)cc3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is ZABJHMMXRVDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)18-9-7-17(8-10-18)11-12-23-20(26)13-25-14-24-21-16(3)5-4-6-19(21)22(25)27/h4-10,14-15H,11-13H2,1-3H3,(H,23,26).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 27016294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).