N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide

C24H20FN3O2 — CID 22330414

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C24H20FN3O2/c1-15-6-5-7-17(12-15)23-27-21-9-4-3-8-19(21)24(30)28(23)14-22(29)26-18-11-10-16(2)20(25)13-18/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyKZNPFVLXUSODLR-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.46
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 22330414) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID22330414
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C24H20FN3O2/c1-15-6-5-7-17(12-15)23-27-21-9-4-3-8-19(21)24(30)28(23)14-22(29)26-18-11-10-16(2)20(25)13-18/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyKZNPFVLXUSODLR-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (CID 22330414) is N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is Cc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is KZNPFVLXUSODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-15-6-5-7-17(12-15)23-27-21-9-4-3-8-19(21)24(30)28(23)14-22(29)26-18-11-10-16(2)20(25)13-18/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 22330414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).