N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H25N3O2 — CID 46565875

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-16-9-10-17(2)23(15-16)18(3)27-25(30)20-11-13-21(14-12-20)29-19(4)28-24-8-6-5-7-22(24)26(29)31/h5-15,18H,1-4H3,(H,27,30)
InChIKeyZUWGRPSBWINNBA-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 46565875) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID46565875
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-16-9-10-17(2)23(15-16)18(3)27-25(30)20-11-13-21(14-12-20)29-19(4)28-24-8-6-5-7-22(24)26(29)31/h5-15,18H,1-4H3,(H,27,30)
InChIKeyZUWGRPSBWINNBA-UHFFFAOYSA-N
XLogP4.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 26995174
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60549295
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 71910593
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 46565875) is N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZUWGRPSBWINNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-16-9-10-17(2)23(15-16)18(3)27-25(30)20-11-13-21(14-12-20)29-19(4)28-24-8-6-5-7-22(24)26(29)31/h5-15,18H,1-4H3,(H,27,30).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 46565875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).