11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline

C24H21NO — CID 135026219

IUPAC11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline
SMILESCOc1ccc(C2c3ccccc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C24H21NO/c1-16-20-8-5-6-10-22(20)25-15-18-7-3-4-9-21(18)23(24(16)25)17-11-13-19(26-2)14-12-17/h3-14,23H,15H2,1-2H3
InChIKeyLCEQRJKNTWJTLF-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.50
Rot. Bonds2

About 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline

11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline (PubChem CID 135026219) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline
PubChem CID135026219
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline
SMILESCOc1ccc(C2c3ccccc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C24H21NO/c1-16-20-8-5-6-10-22(20)25-15-18-7-3-4-9-21(18)23(24(16)25)17-11-13-19(26-2)14-12-17/h3-14,23H,15H2,1-2H3
InChIKeyLCEQRJKNTWJTLF-UHFFFAOYSA-N
XLogP5.50
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine
CID 132557775
[2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylindol-1-yl] thiohypoiodite
CID 137395258
(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 124647171
(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
CID 10431398
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
CID 68565618
2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole-1-carbonitrile
CID 118491048
3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 15287251
1-(4-methoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-5-carbonitrile
CID 13082328
5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916592
5-(4-methoxyphenyl)-11-methyl-2,3,5,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazin-11-ium
CID 44725556
methyl 2-(4-methoxyphenyl)-1,3-dihydroisoindole-1-carboxylate
CID 46945912

Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline?
The IUPAC name of 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline (CID 135026219) is 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline.
What is the SMILES notation for 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline?
The canonical SMILES for 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline is COc1ccc(C2c3ccccc3Cn3c2c(C)c2ccccc23)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline?
The InChIKey is LCEQRJKNTWJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-16-20-8-5-6-10-22(20)25-15-18-7-3-4-9-21(18)23(24(16)25)17-11-13-19(26-2)14-12-17/h3-14,23H,15H2,1-2H3.
What are the key properties of 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline?
11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline has a molecular weight of 339.44 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline is sourced from PubChem (CID 135026219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).