3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine

C34H46N6 — CID 51349970

IUPAC3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine
SMILESCc1cc(NCCCN2CCCCC2)c2ccc3c(ccc4c(NCCCN5CCCCC5)cc(C)nc43)c2n1
InChIInChI=1S/C34H46N6/c1-25-23-31(35-15-9-21-39-17-5-3-6-18-39)29-13-12-28-27(33(29)37-25)11-14-30-32(24-26(2)38-34(28)30)36-16-10-22-40-19-7-4-8-20-40/h11-14,23-24H,3-10,15-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyLGHDDEGBKDPJIX-UHFFFAOYSA-N
MW538.78 g/mol
LogP7.13
Rot. Bonds10

About 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine

3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine (PubChem CID 51349970) has the molecular formula C34H46N6 and a molecular weight of 538.78 g/mol. Its IUPAC name is 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine.

Molecular Properties

Compound Name3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine
PubChem CID51349970
Molecular FormulaC34H46N6
Molecular Weight538.78 g/mol
Exact Mass538.38
IUPAC Name3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine
SMILESCc1cc(NCCCN2CCCCC2)c2ccc3c(ccc4c(NCCCN5CCCCC5)cc(C)nc43)c2n1
InChIInChI=1S/C34H46N6/c1-25-23-31(35-15-9-21-39-17-5-3-6-18-39)29-13-12-28-27(33(29)37-25)11-14-30-32(24-26(2)38-34(28)30)36-16-10-22-40-19-7-4-8-20-40/h11-14,23-24H,3-10,15-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyLGHDDEGBKDPJIX-UHFFFAOYSA-N
XLogP7.13
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.78
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine 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 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine?
The IUPAC name of 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine (CID 51349970) is 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine.
What is the SMILES notation for 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine?
The canonical SMILES for 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine is Cc1cc(NCCCN2CCCCC2)c2ccc3c(ccc4c(NCCCN5CCCCC5)cc(C)nc43)c2n1.
What is the InChIKey of 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine?
The InChIKey is LGHDDEGBKDPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N6/c1-25-23-31(35-15-9-21-39-17-5-3-6-18-39)29-13-12-28-27(33(29)37-25)11-14-30-32(24-26(2)38-34(28)30)36-16-10-22-40-19-7-4-8-20-40/h11-14,23-24H,3-10,15-22H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine?
3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine has a molecular weight of 538.78 g/mol, XLogP of 7.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-1-N,7-N-bis(3-piperidin-1-ylpropyl)quinolino[8,7-h]quinoline-1,7-diamine is sourced from PubChem (CID 51349970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).