(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

C24H15F3N2O — CID 12015041

IUPAC(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESCc1ccc(C(=O)c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1
InChIInChI=1S/C24H15F3N2O/c1-14-10-12-15(13-11-14)22(30)20-17-7-3-5-9-19(17)29-21(20)16-6-2-4-8-18(16)28-23(29)24(25,26)27/h2-13H,1H3
InChIKeyXJYXJQPEEZYXGZ-UHFFFAOYSA-N
MW404.39 g/mol
LogP6.20
Rot. Bonds2

About (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (PubChem CID 12015041) has the molecular formula C24H15F3N2O and a molecular weight of 404.39 g/mol. Its IUPAC name is (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
PubChem CID12015041
Molecular FormulaC24H15F3N2O
Molecular Weight404.39 g/mol
Exact Mass404.11
IUPAC Name(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESCc1ccc(C(=O)c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1
InChIInChI=1S/C24H15F3N2O/c1-14-10-12-15(13-11-14)22(30)20-17-7-3-5-9-19(17)29-21(20)16-6-2-4-8-18(16)28-23(29)24(25,26)27/h2-13H,1H3
InChIKeyXJYXJQPEEZYXGZ-UHFFFAOYSA-N
XLogP6.20
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Aminoquinazolin-7-yl)-2,3,6,6-tetramethyl-5,7-dihydroindol-4-one
CID 25063093
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 2377208
N-[3,5-Bis(trifluoromethyl)benzyl]-N-methyl-5-(4-methylphenyl)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 16755257
1-(4-Aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 25063092
Brl-54504AX
CID 9903796
11-amino-2-ethyl-6-methyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
CID 44328522
3,3,12-trimethyl-3,4-dihydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 666644
2,12-Diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaene-20,21-dione
CID 127042966
Phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 162405538
(9-Pyrimidin-2-ylcarbazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 168276781
(4-Fluorophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168292927
(4-Methylphenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168296020

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The IUPAC name of (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (CID 12015041) is (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is Cc1ccc(C(=O)c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1.
What is the InChIKey of (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The InChIKey is XJYXJQPEEZYXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O/c1-14-10-12-15(13-11-14)22(30)20-17-7-3-5-9-19(17)29-21(20)16-6-2-4-8-18(16)28-23(29)24(25,26)27/h2-13H,1H3.
What are the key properties of (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
(4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone has a molecular weight of 404.39 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is sourced from PubChem (CID 12015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).