3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine

C29H35Cl2N5 — CID 118728381

IUPAC3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
SMILESClc1cc(NCCCN2CCCCC2)c2cc3c(nc2c1)c1cc(Cl)ccc1n3CCN1CCCC1
InChIInChI=1S/C29H35Cl2N5/c30-21-7-8-27-24(17-21)29-28(36(27)16-15-35-12-4-5-13-35)20-23-25(18-22(31)19-26(23)33-29)32-9-6-14-34-10-2-1-3-11-34/h7-8,17-20,32H,1-6,9-16H2
InChIKeyIIKJTBZXYVEEJJ-UHFFFAOYSA-N
MW524.54 g/mol
LogP7.03
Rot. Bonds8

About 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine

3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine (PubChem CID 118728381) has the molecular formula C29H35Cl2N5 and a molecular weight of 524.54 g/mol. Its IUPAC name is 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine.

Molecular Properties

Compound Name3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
PubChem CID118728381
Molecular FormulaC29H35Cl2N5
Molecular Weight524.54 g/mol
Exact Mass523.23
IUPAC Name3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
SMILESClc1cc(NCCCN2CCCCC2)c2cc3c(nc2c1)c1cc(Cl)ccc1n3CCN1CCCC1
InChIInChI=1S/C29H35Cl2N5/c30-21-7-8-27-24(17-21)29-28(36(27)16-15-35-12-4-5-13-35)20-23-25(18-22(31)19-26(23)33-29)32-9-6-14-34-10-2-1-3-11-34/h7-8,17-20,32H,1-6,9-16H2
InChIKeyIIKJTBZXYVEEJJ-UHFFFAOYSA-N
XLogP7.03
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The IUPAC name of 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine (CID 118728381) is 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine.
What is the SMILES notation for 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The canonical SMILES for 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine is Clc1cc(NCCCN2CCCCC2)c2cc3c(nc2c1)c1cc(Cl)ccc1n3CCN1CCCC1.
What is the InChIKey of 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
The InChIKey is IIKJTBZXYVEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35Cl2N5/c30-21-7-8-27-24(17-21)29-28(36(27)16-15-35-12-4-5-13-35)20-23-25(18-22(31)19-26(23)33-29)32-9-6-14-34-10-2-1-3-11-34/h7-8,17-20,32H,1-6,9-16H2.
What are the key properties of 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine?
3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine has a molecular weight of 524.54 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-N-(3-piperidin-1-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine is sourced from PubChem (CID 118728381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).