2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline

C54H38N6O — CID 123394398

IUPAC2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline
SMILESCOc1cccc2c(-c3cc(C)c4cc(Cc5cccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c56)ccc4n3)c[nH]c12
InChIInChI=1S/C54H38N6O/c1-31-23-51(44-30-57-54-40(44)10-6-12-52(54)61-2)60-46-20-13-32(25-41(31)46)24-37-8-5-9-39-43(29-56-53(37)39)48-22-18-34-14-15-35(26-49(34)59-48)36-16-19-38-42(28-55-50(38)27-36)47-21-17-33-7-3-4-11-45(33)58-47/h3-23,25-30,55-57H,24H2,1-2H3
InChIKeyPDHCZGYECRXZLO-UHFFFAOYSA-N
MW786.94 g/mol
LogP13.35
Rot. Bonds7

About 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline

2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline (PubChem CID 123394398) has the molecular formula C54H38N6O and a molecular weight of 786.94 g/mol. Its IUPAC name is 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline.

Molecular Properties

Compound Name2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline
PubChem CID123394398
Molecular FormulaC54H38N6O
Molecular Weight786.94 g/mol
Exact Mass786.31
IUPAC Name2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline
SMILESCOc1cccc2c(-c3cc(C)c4cc(Cc5cccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c56)ccc4n3)c[nH]c12
InChIInChI=1S/C54H38N6O/c1-31-23-51(44-30-57-54-40(44)10-6-12-52(54)61-2)60-46-20-13-32(25-41(31)46)24-37-8-5-9-39-43(29-56-53(37)39)48-22-18-34-14-15-35(26-49(34)59-48)36-16-19-38-42(28-55-50(38)27-36)47-21-17-33-7-3-4-11-45(33)58-47/h3-23,25-30,55-57H,24H2,1-2H3
InChIKeyPDHCZGYECRXZLO-UHFFFAOYSA-N
XLogP13.35
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 513.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
Ditercalinium Chloride
CID 71541
Ditercalinium
CID 3119
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
CID 10150682
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethenylpyridin-3-yl}isoquinoline
CID 23647571
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-4-methylpyridin-3-yl}isoquinoline
CID 23647575
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethylisoquinoline
CID 23647583
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethenylisoquinoline
CID 23647584
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-phenylisoquinoline
CID 23647586
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(pyridin-4-yl)isoquinoline
CID 23647587

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline?
The IUPAC name of 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline (CID 123394398) is 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline.
What is the SMILES notation for 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline?
The canonical SMILES for 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline is COc1cccc2c(-c3cc(C)c4cc(Cc5cccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c56)ccc4n3)c[nH]c12.
What is the InChIKey of 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline?
The InChIKey is PDHCZGYECRXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6O/c1-31-23-51(44-30-57-54-40(44)10-6-12-52(54)61-2)60-46-20-13-32(25-41(31)46)24-37-8-5-9-39-43(29-56-53(37)39)48-22-18-34-14-15-35(26-49(34)59-48)36-16-19-38-42(28-55-50(38)27-36)47-21-17-33-7-3-4-11-45(33)58-47/h3-23,25-30,55-57H,24H2,1-2H3.
What are the key properties of 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline?
2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline has a molecular weight of 786.94 g/mol, XLogP of 13.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline is sourced from PubChem (CID 123394398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).