3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine

C32H42N6 — CID 51350107

IUPAC3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine
SMILESCc1cc(NCCN2CCCCC2)c2ccc3c(ccc4c(NCCN5CCCCC5)cc(C)nc43)c2n1
InChIInChI=1S/C32H42N6/c1-23-21-29(33-13-19-37-15-5-3-6-16-37)27-11-10-26-25(31(27)35-23)9-12-28-30(22-24(2)36-32(26)28)34-14-20-38-17-7-4-8-18-38/h9-12,21-22H,3-8,13-20H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHXVAFGJPYRYFAL-UHFFFAOYSA-N
MW510.73 g/mol
LogP6.35
Rot. Bonds8

About 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine

3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine (PubChem CID 51350107) has the molecular formula C32H42N6 and a molecular weight of 510.73 g/mol. Its IUPAC name is 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine.

Molecular Properties

Compound Name3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine
PubChem CID51350107
Molecular FormulaC32H42N6
Molecular Weight510.73 g/mol
Exact Mass510.35
IUPAC Name3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine
SMILESCc1cc(NCCN2CCCCC2)c2ccc3c(ccc4c(NCCN5CCCCC5)cc(C)nc43)c2n1
InChIInChI=1S/C32H42N6/c1-23-21-29(33-13-19-37-15-5-3-6-16-37)27-11-10-26-25(31(27)35-23)9-12-28-30(22-24(2)36-32(26)28)34-14-20-38-17-7-4-8-18-38/h9-12,21-22H,3-8,13-20H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHXVAFGJPYRYFAL-UHFFFAOYSA-N
XLogP6.35
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine?
The IUPAC name of 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine (CID 51350107) is 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine.
What is the SMILES notation for 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine?
The canonical SMILES for 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine is Cc1cc(NCCN2CCCCC2)c2ccc3c(ccc4c(NCCN5CCCCC5)cc(C)nc43)c2n1.
What is the InChIKey of 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine?
The InChIKey is HXVAFGJPYRYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6/c1-23-21-29(33-13-19-37-15-5-3-6-16-37)27-11-10-26-25(31(27)35-23)9-12-28-30(22-24(2)36-32(26)28)34-14-20-38-17-7-4-8-18-38/h9-12,21-22H,3-8,13-20H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine?
3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine has a molecular weight of 510.73 g/mol, XLogP of 6.35, 8 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(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine is sourced from PubChem (CID 51350107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).