N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C23H18IN3O2 — CID 46809727

IUPACN-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1I
InChIInChI=1S/C23H18IN3O2/c1-14-7-10-17(13-20(14)24)26-22(28)16-8-11-18(12-9-16)27-15(2)25-21-6-4-3-5-19(21)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyOTXLFHKYPDRWIQ-UHFFFAOYSA-N
MW495.32 g/mol
LogP4.86
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 46809727) has the molecular formula C23H18IN3O2 and a molecular weight of 495.32 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID46809727
Molecular FormulaC23H18IN3O2
Molecular Weight495.32 g/mol
Exact Mass495.04
IUPAC NameN-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1I
InChIInChI=1S/C23H18IN3O2/c1-14-7-10-17(13-20(14)24)26-22(28)16-8-11-18(12-9-16)27-15(2)25-21-6-4-3-5-19(21)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyOTXLFHKYPDRWIQ-UHFFFAOYSA-N
XLogP4.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46565875

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 46809727) is N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is OTXLFHKYPDRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18IN3O2/c1-14-7-10-17(13-20(14)24)26-22(28)16-8-11-18(12-9-16)27-15(2)25-21-6-4-3-5-19(21)23(27)29/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 495.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 46809727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).