4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid

C15H27N3O9P2 — CID 6135

IUPAC4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyGJOHLWZHWQUKAU-UHFFFAOYSA-N
MW455.34 g/mol
LogP0.93
Rot. Bonds6

About 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid

4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid (PubChem CID 6135) has the molecular formula C15H27N3O9P2 and a molecular weight of 455.34 g/mol. Its IUPAC name is 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid.

Molecular Properties

Compound Name4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid
PubChem CID6135
Molecular FormulaC15H27N3O9P2
Molecular Weight455.34 g/mol
Exact Mass455.12
IUPAC Name4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyGJOHLWZHWQUKAU-UHFFFAOYSA-N
XLogP0.93
TPSA215.69 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 50.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid 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 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid?
The IUPAC name of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid (CID 6135) is 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid.
What is the SMILES notation for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid?
The canonical SMILES for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid is COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid?
The InChIKey is GJOHLWZHWQUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4).
What are the key properties of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid?
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid has a molecular weight of 455.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid is sourced from PubChem (CID 6135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).