5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine

C22H17N3 — CID 135585429

IUPAC5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine
SMILESCn1c2ccccc2/c(=N\c2ccccc2)c2c3ccccc3[nH]c21
InChIInChI=1S/C22H17N3/c1-25-19-14-8-6-12-17(19)21(23-15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)24-22(20)25/h2-14,24H,1H3/b23-21+
InChIKeyTUODYPNSPPCXSX-XTQSDGFTSA-N
MW323.40 g/mol
LogP5.05
Rot. Bonds1

About 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine

5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine (PubChem CID 135585429) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine.

Molecular Properties

Compound Name5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine
PubChem CID135585429
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine
SMILESCn1c2ccccc2/c(=N\c2ccccc2)c2c3ccccc3[nH]c21
InChIInChI=1S/C22H17N3/c1-25-19-14-8-6-12-17(19)21(23-15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)24-22(20)25/h2-14,24H,1H3/b23-21+
InChIKeyTUODYPNSPPCXSX-XTQSDGFTSA-N
XLogP5.05
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine?
The IUPAC name of 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine (CID 135585429) is 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine.
What is the SMILES notation for 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine?
The canonical SMILES for 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine is Cn1c2ccccc2/c(=N\c2ccccc2)c2c3ccccc3[nH]c21.
What is the InChIKey of 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine?
The InChIKey is TUODYPNSPPCXSX-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H17N3/c1-25-19-14-8-6-12-17(19)21(23-15-9-3-2-4-10-15)20-16-11-5-7-13-18(16)24-22(20)25/h2-14,24H,1H3/b23-21+.
What are the key properties of 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine?
5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine has a molecular weight of 323.40 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-imine is sourced from PubChem (CID 135585429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).