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

C23H17ClFN3O2 — CID 22330418

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H17ClFN3O2/c1-14-5-4-6-15(11-14)22-27-20-8-3-2-7-17(20)23(30)28(22)13-21(29)26-16-9-10-19(25)18(24)12-16/h2-12H,13H2,1H3,(H,26,29)
InChIKeyOMJBALQVXOHDNQ-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.80
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 22330418) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID22330418
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H17ClFN3O2/c1-14-5-4-6-15(11-14)22-27-20-8-3-2-7-17(20)23(30)28(22)13-21(29)26-16-9-10-19(25)18(24)12-16/h2-12H,13H2,1H3,(H,26,29)
InChIKeyOMJBALQVXOHDNQ-UHFFFAOYSA-N
XLogP4.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (CID 22330418) is N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is Cc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is OMJBALQVXOHDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-14-5-4-6-15(11-14)22-27-20-8-3-2-7-17(20)23(30)28(22)13-21(29)26-16-9-10-19(25)18(24)12-16/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 421.86 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-(3-chloro-4-fluorophenyl)-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 22330418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).