6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione

C23H17F3N2O2 — CID 123901902

IUPAC6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(Cc1ccc(C(F)(F)F)cc1)c(=O)n2-c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c1-15-7-12-20-19(13-15)21(29)27(22(30)28(20)18-5-3-2-4-6-18)14-16-8-10-17(11-9-16)23(24,25)26/h2-13H,14H2,1H3
InChIKeySLJNTSPNVJVGRT-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.53
Rot. Bonds3

About 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione

6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione (PubChem CID 123901902) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione
PubChem CID123901902
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(Cc1ccc(C(F)(F)F)cc1)c(=O)n2-c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c1-15-7-12-20-19(13-15)21(29)27(22(30)28(20)18-5-3-2-4-6-18)14-16-8-10-17(11-9-16)23(24,25)26/h2-13H,14H2,1H3
InChIKeySLJNTSPNVJVGRT-UHFFFAOYSA-N
XLogP4.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-5,8-dimethyl-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914460
6-methyl-1-phenyl-3-(2-phenylpropan-2-yl)quinazoline-2,4-dione
CID 123695795
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
4-benzyl-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 20755137
2-(3-methylphenyl)-3,5-dioxo-N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 46004996
methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane
CID 159892224
5,11-bis[[4-(trifluoromethyl)phenyl]methyl]-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 87063251
3-benzyl-1-[(4-fluorophenyl)methyl]-5,8-dimethylpyrimido[5,4-b]indole-2,4-dione
CID 20914487
3-(3-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331572
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
1-[(4-chlorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 16811560

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione (CID 123901902) is 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione is Cc1ccc2c(c1)c(=O)n(Cc1ccc(C(F)(F)F)cc1)c(=O)n2-c1ccccc1.
What is the InChIKey of 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is SLJNTSPNVJVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-15-7-12-20-19(13-15)21(29)27(22(30)28(20)18-5-3-2-4-6-18)14-16-8-10-17(11-9-16)23(24,25)26/h2-13H,14H2,1H3.
What are the key properties of 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione?
6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 410.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 123901902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).