4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide

C23H16F3N3O2 — CID 39776766

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3N3O2/c1-14-27-20-5-3-2-4-19(20)22(31)29(14)18-12-6-15(7-13-18)21(30)28-17-10-8-16(9-11-17)23(24,25)26/h2-13H,1H3,(H,28,30)
InChIKeyDNUNREHSGBMQTI-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.97
Rot. Bonds3

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 39776766) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID39776766
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3N3O2/c1-14-27-20-5-3-2-4-19(20)22(31)29(14)18-12-6-15(7-13-18)21(30)28-17-10-8-16(9-11-17)23(24,25)26/h2-13H,1H3,(H,28,30)
InChIKeyDNUNREHSGBMQTI-UHFFFAOYSA-N
XLogP4.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 39776766) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DNUNREHSGBMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c1-14-27-20-5-3-2-4-19(20)22(31)29(14)18-12-6-15(7-13-18)21(30)28-17-10-8-16(9-11-17)23(24,25)26/h2-13H,1H3,(H,28,30).
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 423.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 39776766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).