6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline

C22H12ClF3N2 — CID 102402532

IUPAC6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1[nH]c3ccccc3c12
InChIInChI=1S/C22H12ClF3N2/c23-14-8-5-12(6-9-14)20-21-19(15-3-1-2-4-17(15)27-21)16-10-7-13(22(24,25)26)11-18(16)28-20/h1-11,27H
InChIKeyXXEDSHGXEHIBAU-UHFFFAOYSA-N
MW396.80 g/mol
LogP7.21
Rot. Bonds1

About 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline

6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline (PubChem CID 102402532) has the molecular formula C22H12ClF3N2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline
PubChem CID102402532
Molecular FormulaC22H12ClF3N2
Molecular Weight396.80 g/mol
Exact Mass396.06
IUPAC Name6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1[nH]c3ccccc3c12
InChIInChI=1S/C22H12ClF3N2/c23-14-8-5-12(6-9-14)20-21-19(15-3-1-2-4-17(15)27-21)16-10-7-13(22(24,25)26)11-18(16)28-20/h1-11,27H
InChIKeyXXEDSHGXEHIBAU-UHFFFAOYSA-N
XLogP7.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.80
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-[[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 130247492
1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol
CID 11044625
11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 122363290
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
2-(7H-indolo[2,3-c]quinolin-6-yl)phenol
CID 135931779
14-(4-chlorophenyl)-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 135018011
4,10-dichloro-17-(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 135234567
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline
CID 102412198
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
17-(trifluoromethyl)-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11759995
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline?
The IUPAC name of 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline (CID 102402532) is 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline?
The canonical SMILES for 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline is FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1[nH]c3ccccc3c12.
What is the InChIKey of 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline?
The InChIKey is XXEDSHGXEHIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF3N2/c23-14-8-5-12(6-9-14)20-21-19(15-3-1-2-4-17(15)27-21)16-10-7-13(22(24,25)26)11-18(16)28-20/h1-11,27H.
What are the key properties of 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline?
6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline has a molecular weight of 396.80 g/mol, XLogP of 7.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline is sourced from PubChem (CID 102402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).