3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride

C16H11Cl2F3N2O — CID 24845750

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
SMILESCc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C16H10ClF3N2O.ClH/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-8-10(16(18,19)20)6-7-12(14)17;/h2-8H,1H3;1H
InChIKeyVCFXZQPNLJFULK-UHFFFAOYSA-N
MW375.18 g/mol
LogP4.79
Rot. Bonds1

About 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride

3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride (PubChem CID 24845750) has the molecular formula C16H11Cl2F3N2O and a molecular weight of 375.18 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
PubChem CID24845750
Molecular FormulaC16H11Cl2F3N2O
Molecular Weight375.18 g/mol
Exact Mass374.02
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
SMILESCc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C16H10ClF3N2O.ClH/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-8-10(16(18,19)20)6-7-12(14)17;/h2-8H,1H3;1H
InChIKeyVCFXZQPNLJFULK-UHFFFAOYSA-N
XLogP4.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2645983
2-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41004183
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
2-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-4-(methyliminomethyl)isoquinolin-1-one
CID 4885796
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
2-methyl-3-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]quinazolin-4-one
CID 156587843
3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 2392049
CID 131876705
CID 131876705

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride (CID 24845750) is 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride is Cc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl.Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride?
The InChIKey is VCFXZQPNLJFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O.ClH/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-8-10(16(18,19)20)6-7-12(14)17;/h2-8H,1H3;1H.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride?
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride has a molecular weight of 375.18 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 24845750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).