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

C24H15F3N2O — CID 11177158

IUPAC1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1
InChIInChI=1S/C24H15F3N2O/c1-14(30)15-10-12-16(13-11-15)21-18-7-3-5-9-20(18)29-22(21)17-6-2-4-8-19(17)28-23(29)24(25,26)27/h2-13H,1H3
InChIKeyDYZNAJQVWKASDP-UHFFFAOYSA-N
MW404.39 g/mol
LogP6.53
Rot. Bonds2

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

1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone (PubChem CID 11177158) has the molecular formula C24H15F3N2O and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone
PubChem CID11177158
Molecular FormulaC24H15F3N2O
Molecular Weight404.39 g/mol
Exact Mass404.11
IUPAC Name1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1
InChIInChI=1S/C24H15F3N2O/c1-14(30)15-10-12-16(13-11-15)21-18-7-3-5-9-20(18)29-22(21)17-6-2-4-8-19(17)28-23(29)24(25,26)27/h2-13H,1H3
InChIKeyDYZNAJQVWKASDP-UHFFFAOYSA-N
XLogP6.53
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 ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-Diaminoquinazolin-7-yl)phenyl]ethanone
CID 56659280
1-[4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenyl]ethanone
CID 168270837
1-(4-(2-amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-yl)phenyl)ethanone
CID 45269195
Brl-54504AX
CID 9903796
11-amino-2-ethyl-6-methyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
CID 44328522
1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone
CID 404609
(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
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 10226777
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 10298546
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2,3,6-trifluorobenzamide
CID 11235849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone (CID 11177158) is 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone is CC(=O)c1ccc(-c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)cc1.
What is the InChIKey of 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone?
The InChIKey is DYZNAJQVWKASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O/c1-14(30)15-10-12-16(13-11-15)21-18-7-3-5-9-20(18)29-22(21)17-6-2-4-8-19(17)28-23(29)24(25,26)27/h2-13H,1H3.
What are the key properties of 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone?
1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone has a molecular weight of 404.39 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone is sourced from PubChem (CID 11177158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).