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

C54H38N6O — CID 123193985

IUPAC2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline
SMILESCOc1ccc2c(-c3cc(C)c4ccc(-c5ccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c6c5C)cc4n3)c[nH]c2c1
InChIInChI=1S/C54H38N6O/c1-30-22-52(44-28-56-51-26-37(61-3)14-17-41(44)51)60-53-25-36(11-15-38(30)53)39-18-19-42-45(29-57-54(42)31(39)2)48-21-13-33-8-9-34(23-49(33)59-48)35-10-16-40-43(27-55-50(40)24-35)47-20-12-32-6-4-5-7-46(32)58-47/h4-29,55-57H,1-3H3
InChIKeyZNRLWFXXWPZJFK-UHFFFAOYSA-N
MW786.94 g/mol
LogP13.74
Rot. Bonds6

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

2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline (PubChem CID 123193985) has the molecular formula C54H38N6O and a molecular weight of 786.94 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline
PubChem CID123193985
Molecular FormulaC54H38N6O
Molecular Weight786.94 g/mol
Exact Mass786.31
IUPAC Name2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline
SMILESCOc1ccc2c(-c3cc(C)c4ccc(-c5ccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c6c5C)cc4n3)c[nH]c2c1
InChIInChI=1S/C54H38N6O/c1-30-22-52(44-28-56-51-26-37(61-3)14-17-41(44)51)60-53-25-36(11-15-38(30)53)39-18-19-42-45(29-57-54(42)31(39)2)48-21-13-33-8-9-34(23-49(33)59-48)35-10-16-40-43(27-55-50(40)24-35)47-20-12-32-6-4-5-7-46(32)58-47/h4-29,55-57H,1-3H3
InChIKeyZNRLWFXXWPZJFK-UHFFFAOYSA-N
XLogP13.74
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 513.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 3119
9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105816
1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105818
8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
CID 155294460
(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine
CID 76853169
N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide
CID 77105820
1-(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)-N,N-dimethylmethanamine
CID 77105821
7-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77106026
7-(Naphthalen-2-ylmethoxy)-1-methyl-beta-carboline
CID 53318152
2-(6-methoxy-1H-indol-3-yl)quinoline-3-carbonitrile
CID 57384028

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline (CID 123193985) is 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline is COc1ccc2c(-c3cc(C)c4ccc(-c5ccc6c(-c7ccc8ccc(-c9ccc%10c(-c%11ccc%12ccccc%12n%11)c[nH]c%10c9)cc8n7)c[nH]c6c5C)cc4n3)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline?
The InChIKey is ZNRLWFXXWPZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6O/c1-30-22-52(44-28-56-51-26-37(61-3)14-17-41(44)51)60-53-25-36(11-15-38(30)53)39-18-19-42-45(29-57-54(42)31(39)2)48-21-13-33-8-9-34(23-49(33)59-48)35-10-16-40-43(27-55-50(40)24-35)47-20-12-32-6-4-5-7-46(32)58-47/h4-29,55-57H,1-3H3.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline?
2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline has a molecular weight of 786.94 g/mol, XLogP of 13.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)-4-methyl-7-[7-methyl-3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-6-yl]quinoline is sourced from PubChem (CID 123193985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).