N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine

C23H19N3O — CID 135440325

IUPACN-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine
SMILESCOc1ccc(/N=c2\c3ccccc3n(C)c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C23H19N3O/c1-26-20-10-6-4-8-18(20)22(24-15-11-13-16(27-2)14-12-15)21-17-7-3-5-9-19(17)25-23(21)26/h3-14,25H,1-2H3/b24-22+
InChIKeyKSPPVPIKRCJVMW-ZNTNEXAZSA-N
MW353.43 g/mol
LogP5.05
Rot. Bonds2

About N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine

N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine (PubChem CID 135440325) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine
PubChem CID135440325
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine
SMILESCOc1ccc(/N=c2\c3ccccc3n(C)c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C23H19N3O/c1-26-20-10-6-4-8-18(20)22(24-15-11-13-16(27-2)14-12-15)21-17-7-3-5-9-19(17)25-23(21)26/h3-14,25H,1-2H3/b24-22+
InChIKeyKSPPVPIKRCJVMW-ZNTNEXAZSA-N
XLogP5.05
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine (CID 135440325) is N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine is COc1ccc(/N=c2\c3ccccc3n(C)c3[nH]c4ccccc4c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine?
The InChIKey is KSPPVPIKRCJVMW-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H19N3O/c1-26-20-10-6-4-8-18(20)22(24-15-11-13-16(27-2)14-12-15)21-17-7-3-5-9-19(17)25-23(21)26/h3-14,25H,1-2H3/b24-22+.
What are the key properties of N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine?
N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine has a molecular weight of 353.43 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-6H-indolo[2,3-b]quinolin-11-imine is sourced from PubChem (CID 135440325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).