11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride

C22H15Cl2FN2S — CID 67596700

IUPAC11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3ccccc3nc-2c(Sc2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H14ClFN2S.ClH/c1-26-19-11-8-14(24)12-17(19)22(27-15-9-6-13(23)7-10-15)20-21(26)16-4-2-3-5-18(16)25-20;/h2-12H,1H3;1H
InChIKeyHTGONEZNBIRCLZ-UHFFFAOYSA-N
MW429.35 g/mol
LogP7.20
Rot. Bonds2

About 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride

11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride (PubChem CID 67596700) has the molecular formula C22H15Cl2FN2S and a molecular weight of 429.35 g/mol. Its IUPAC name is 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride.

Molecular Properties

Compound Name11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride
PubChem CID67596700
Molecular FormulaC22H15Cl2FN2S
Molecular Weight429.35 g/mol
Exact Mass428.03
IUPAC Name11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3ccccc3nc-2c(Sc2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H14ClFN2S.ClH/c1-26-19-11-8-14(24)12-17(19)22(27-15-9-6-13(23)7-10-15)20-21(26)16-4-2-3-5-18(16)25-20;/h2-12H,1H3;1H
InChIKeyHTGONEZNBIRCLZ-UHFFFAOYSA-N
XLogP7.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
CID 24895946
3-(4-chlorophenyl)sulfanyl-2-phenylquinoline-4-carboxylic acid
CID 3762674
4-(4-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline
CID 1479841
3-(4-chlorophenyl)sulfanyl-1,5-dimethylindole-2-carboxylic acid
CID 71625032
N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
CID 4309234
4-chloro-N-(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416763
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
CID 63885866
3-(4-bromophenyl)sulfanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid
CID 3722338
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
2-(4-chlorophenyl)sulfanyl-3-phenylquinoline
CID 3675117

Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride?
The IUPAC name of 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride (CID 67596700) is 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride.
What is the SMILES notation for 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride?
The canonical SMILES for 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride is Cl.Cn1c2c3ccccc3nc-2c(Sc2ccc(Cl)cc2)c2cc(F)ccc21.
What is the InChIKey of 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride?
The InChIKey is HTGONEZNBIRCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2S.ClH/c1-26-19-11-8-14(24)12-17(19)22(27-15-9-6-13(23)7-10-15)20-21(26)16-4-2-3-5-18(16)25-20;/h2-12H,1H3;1H.
What are the key properties of 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride?
11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride has a molecular weight of 429.35 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)sulfanyl-2-fluoro-5-methylindolo[3,2-b]quinoline;hydrochloride is sourced from PubChem (CID 67596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).