[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone

C24H12F6N2O — CID 12015040

IUPAC[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C24H12F6N2O/c25-23(26,27)14-7-5-6-13(12-14)21(33)19-16-9-2-4-11-18(16)32-20(19)15-8-1-3-10-17(15)31-22(32)24(28,29)30/h1-12H
InChIKeyKIWFOEADKXWGSX-UHFFFAOYSA-N
MW458.36 g/mol
LogP6.91
Rot. Bonds2

About [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone

[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 12015040) has the molecular formula C24H12F6N2O and a molecular weight of 458.36 g/mol. Its IUPAC name is [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID12015040
Molecular FormulaC24H12F6N2O
Molecular Weight458.36 g/mol
Exact Mass458.09
IUPAC Name[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C24H12F6N2O/c25-23(26,27)14-7-5-6-13(12-14)21(33)19-16-9-2-4-11-18(16)32-20(19)15-8-1-3-10-17(15)31-22(32)24(28,29)30/h1-12H
InChIKeyKIWFOEADKXWGSX-UHFFFAOYSA-N
XLogP6.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 42643617
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 87919626
naphthalen-1-yl 3-(trifluoromethyl)benzoate
CID 7913780
12-(4-phenylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
CID 162409800

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 12015040) is [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12.
What is the InChIKey of [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KIWFOEADKXWGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N2O/c25-23(26,27)14-7-5-6-13(12-14)21(33)19-16-9-2-4-11-18(16)32-20(19)15-8-1-3-10-17(15)31-22(32)24(28,29)30/h1-12H.
What are the key properties of [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone?
[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 458.36 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 12015040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).