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

C23H12ClF3N2O — CID 12015043

IUPAC(4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C23H12ClF3N2O/c24-14-11-9-13(10-12-14)21(30)19-16-6-2-4-8-18(16)29-20(19)15-5-1-3-7-17(15)28-22(29)23(25,26)27/h1-12H
InChIKeyVTZQRBNKTVOWAO-UHFFFAOYSA-N
MW424.81 g/mol
LogP6.54
Rot. Bonds2

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

(4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (PubChem CID 12015043) has the molecular formula C23H12ClF3N2O and a molecular weight of 424.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
PubChem CID12015043
Molecular FormulaC23H12ClF3N2O
Molecular Weight424.81 g/mol
Exact Mass424.06
IUPAC Name(4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C23H12ClF3N2O/c24-14-11-9-13(10-12-14)21(30)19-16-6-2-4-8-18(16)29-20(19)15-5-1-3-7-17(15)28-22(29)23(25,26)27/h1-12H
InChIKeyVTZQRBNKTVOWAO-UHFFFAOYSA-N
XLogP6.54
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.81
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chlorophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168287208
(3-Chlorophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168293452
11-(4-Chlorophenyl)-13-methyl-15-phenyl-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,13,16-heptaene-8,9-dione
CID 76310622
6-Chloro-7-fluoro-3,12,14-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),4,6,8,11,13,15,17,19-nonaene-2,10-dione
CID 147249676
Phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
CID 12015038
(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one
CID 12015039
(4-Methylphenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
CID 12015041
6-methyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
CID 44320950
1-[4-[6-(Trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]phenyl]ethanone
CID 11177158
(4-Phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
CID 11431356
(3,3,5,5-Tetramethylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
CID 12015049
(Z)-3-(benzimidazolo[1,2-c]quinazolin-6-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 177654005

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (CID 12015043) is (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is O=C(c1ccc(Cl)cc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12.
What is the InChIKey of (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The InChIKey is VTZQRBNKTVOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClF3N2O/c24-14-11-9-13(10-12-14)21(30)19-16-6-2-4-8-18(16)29-20(19)15-5-1-3-7-17(15)28-22(29)23(25,26)27/h1-12H.
What are the key properties of (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
(4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone has a molecular weight of 424.81 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is sourced from PubChem (CID 12015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).