2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline

C31H40N4 — CID 10457350

IUPAC2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline
SMILESc1cc2nc3c(cc2cc1CCCN1CCCCC1)[nH]c1ccc(CCCN2CCCCC2)cc13
InChIInChI=1S/C31H40N4/c1-3-15-34(16-4-1)19-7-9-24-11-13-28-26(21-24)23-30-31(33-28)27-22-25(12-14-29(27)32-30)10-8-20-35-17-5-2-6-18-35/h11-14,21-23,32H,1-10,15-20H2
InChIKeyZUZZUSCYXNBGTB-UHFFFAOYSA-N
MW468.69 g/mol
LogP6.71
Rot. Bonds8

About 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline

2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline (PubChem CID 10457350) has the molecular formula C31H40N4 and a molecular weight of 468.69 g/mol. Its IUPAC name is 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline.

Molecular Properties

Compound Name2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline
PubChem CID10457350
Molecular FormulaC31H40N4
Molecular Weight468.69 g/mol
Exact Mass468.33
IUPAC Name2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline
SMILESc1cc2nc3c(cc2cc1CCCN1CCCCC1)[nH]c1ccc(CCCN2CCCCC2)cc13
InChIInChI=1S/C31H40N4/c1-3-15-34(16-4-1)19-7-9-24-11-13-28-26(21-24)23-30-31(33-28)27-22-25(12-14-29(27)32-30)10-8-20-35-17-5-2-6-18-35/h11-14,21-23,32H,1-10,15-20H2
InChIKeyZUZZUSCYXNBGTB-UHFFFAOYSA-N
XLogP6.71
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline?
The IUPAC name of 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline (CID 10457350) is 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline.
What is the SMILES notation for 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline?
The canonical SMILES for 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline is c1cc2nc3c(cc2cc1CCCN1CCCCC1)[nH]c1ccc(CCCN2CCCCC2)cc13.
What is the InChIKey of 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline?
The InChIKey is ZUZZUSCYXNBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4/c1-3-15-34(16-4-1)19-7-9-24-11-13-28-26(21-24)23-30-31(33-28)27-22-25(12-14-29(27)32-30)10-8-20-35-17-5-2-6-18-35/h11-14,21-23,32H,1-10,15-20H2.
What are the key properties of 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline?
2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline has a molecular weight of 468.69 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3-piperidin-1-ylpropyl)-10H-indolo[3,2-b]quinoline is sourced from PubChem (CID 10457350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).