1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline

C42H46N4 — CID 67752210

IUPAC1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCc1c(CC(CCc2cc3ccccc3[nH]2)CCN2CCCc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C42H46N4/c1-5-17-38-34(13-1)30-35(43-38)22-21-31(23-27-45-25-9-14-32-11-2-7-19-41(32)45)29-40-37(36-16-4-6-18-39(36)44-40)24-28-46-26-10-15-33-12-3-8-20-42(33)46/h1-8,11-13,16-20,30-31,43-44H,9-10,14-15,21-29H2
InChIKeySTWZXHKRNCGRQU-UHFFFAOYSA-N
MW606.86 g/mol
LogP9.28
Rot. Bonds11

About 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline

1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline (PubChem CID 67752210) has the molecular formula C42H46N4 and a molecular weight of 606.86 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline
PubChem CID67752210
Molecular FormulaC42H46N4
Molecular Weight606.86 g/mol
Exact Mass606.37
IUPAC Name1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCc1c(CC(CCc2cc3ccccc3[nH]2)CCN2CCCc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C42H46N4/c1-5-17-38-34(13-1)30-35(43-38)22-21-31(23-27-45-25-9-14-32-11-2-7-19-41(32)45)29-40-37(36-16-4-6-18-39(36)44-40)24-28-46-26-10-15-33-12-3-8-20-42(33)46/h1-8,11-13,16-20,30-31,43-44H,9-10,14-15,21-29H2
InChIKeySTWZXHKRNCGRQU-UHFFFAOYSA-N
XLogP9.28
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.86
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline (CID 67752210) is 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2CCc1c(CC(CCc2cc3ccccc3[nH]2)CCN2CCCc3ccccc32)[nH]c2ccccc12.
What is the InChIKey of 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The InChIKey is STWZXHKRNCGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N4/c1-5-17-38-34(13-1)30-35(43-38)22-21-31(23-27-45-25-9-14-32-11-2-7-19-41(32)45)29-40-37(36-16-4-6-18-39(36)44-40)24-28-46-26-10-15-33-12-3-8-20-42(33)46/h1-8,11-13,16-20,30-31,43-44H,9-10,14-15,21-29H2.
What are the key properties of 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline has a molecular weight of 606.86 g/mol, XLogP of 9.28, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(1H-indol-2-yl)butyl]-1H-indol-3-yl]ethyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 67752210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).