2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one

C23H17F4N3O — CID 24991648

IUPAC2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
SMILESCc1ccc2c(=O)n(NCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H17F4N3O/c1-14-2-11-19-20(12-14)29-21(16-5-9-18(24)10-6-16)30(22(19)31)28-13-15-3-7-17(8-4-15)23(25,26)27/h2-12,28H,13H2,1H3
InChIKeyHQWBVLMMLLJRQS-UHFFFAOYSA-N
MW427.40 g/mol
LogP5.27
Rot. Bonds4

About 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one

2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one (PubChem CID 24991648) has the molecular formula C23H17F4N3O and a molecular weight of 427.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
PubChem CID24991648
Molecular FormulaC23H17F4N3O
Molecular Weight427.40 g/mol
Exact Mass427.13
IUPAC Name2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
SMILESCc1ccc2c(=O)n(NCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H17F4N3O/c1-14-2-11-19-20(12-14)29-21(16-5-9-18(24)10-6-16)30(22(19)31)28-13-15-3-7-17(8-4-15)23(25,26)27/h2-12,28H,13H2,1H3
InChIKeyHQWBVLMMLLJRQS-UHFFFAOYSA-N
XLogP5.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 25195810
2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
CID 143767822
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196128
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 25197257
2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine
CID 79090628
3-[(3,4-dichlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196026
3-[(4-bromophenyl)methylamino]-2-(4-hydroxyphenyl)quinazolin-4-one
CID 135871074
N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005383
2-[4-(dimethylamino)phenyl]-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
CID 87413166
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one (CID 24991648) is 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one is Cc1ccc2c(=O)n(NCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one?
The InChIKey is HQWBVLMMLLJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O/c1-14-2-11-19-20(12-14)29-21(16-5-9-18(24)10-6-16)30(22(19)31)28-13-15-3-7-17(8-4-15)23(25,26)27/h2-12,28H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one?
2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one has a molecular weight of 427.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one is sourced from PubChem (CID 24991648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).