11-phenylsulfanyl-10H-indolo[3,2-b]quinoline

C21H14N2S — CID 10853588

IUPAC11-phenylsulfanyl-10H-indolo[3,2-b]quinoline
SMILESc1ccc(Sc2c3ccccc3nc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C21H14N2S/c1-2-8-14(9-3-1)24-21-16-11-5-7-13-18(16)22-19-15-10-4-6-12-17(15)23-20(19)21/h1-13,23H
InChIKeyMXLSUKMCCLQHEO-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.02
Rot. Bonds2

About 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline

11-phenylsulfanyl-10H-indolo[3,2-b]quinoline (PubChem CID 10853588) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline.

Molecular Properties

Compound Name11-phenylsulfanyl-10H-indolo[3,2-b]quinoline
PubChem CID10853588
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name11-phenylsulfanyl-10H-indolo[3,2-b]quinoline
SMILESc1ccc(Sc2c3ccccc3nc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C21H14N2S/c1-2-8-14(9-3-1)24-21-16-11-5-7-13-18(16)22-19-15-10-4-6-12-17(15)23-20(19)21/h1-13,23H
InChIKeyMXLSUKMCCLQHEO-UHFFFAOYSA-N
XLogP6.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

21-thia-9,18,28-triazaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,22,24,26-tridecaene
CID 142755055
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
CID 10713509
4-methyl-2-phenyl-3-phenylsulfanylquinoline
CID 4685647
2,4,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
CID 5357496
3-methoxy-4-phenylsulfanylcinnoline
CID 15889677
22,33-diazaoctacyclo[16.15.0.02,15.05,14.07,12.020,32.021,29.023,28]tritriaconta-1(33),2(15),3,5,7,9,11,13,16,18,20(32),21(29),23,25,27,30-hexadecaene
CID 154174820
9-methyl-4-phenylsulfanyl-3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 10905396
2-methyl-6-(3-phenylsulfanyl-1H-indol-2-yl)aniline
CID 140968076
2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
CID 132573446
N-methyl-11H-indolo[3,2-c]quinolin-6-amine
CID 68670230

Frequently Asked Questions

What is the IUPAC name of 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline?
The IUPAC name of 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline (CID 10853588) is 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline.
What is the SMILES notation for 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline?
The canonical SMILES for 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline is c1ccc(Sc2c3ccccc3nc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline?
The InChIKey is MXLSUKMCCLQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-8-14(9-3-1)24-21-16-11-5-7-13-18(16)22-19-15-10-4-6-12-17(15)23-20(19)21/h1-13,23H.
What are the key properties of 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline?
11-phenylsulfanyl-10H-indolo[3,2-b]quinoline has a molecular weight of 326.42 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylsulfanyl-10H-indolo[3,2-b]quinoline is sourced from PubChem (CID 10853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).