4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine

C23H37N3O2 — CID 15595297

IUPAC4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)cc(C)c12
InChIInChI=1S/C23H37N3O2/c1-6-7-8-9-13-28-23-20(27-5)15-19(25-17(3)11-10-12-24)22-21(23)16(2)14-18(4)26-22/h14-15,17,25H,6-13,24H2,1-5H3
InChIKeyRXTDBWDATAWPKC-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.36
Rot. Bonds12

About 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine

4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine (PubChem CID 15595297) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine
PubChem CID15595297
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)cc(C)c12
InChIInChI=1S/C23H37N3O2/c1-6-7-8-9-13-28-23-20(27-5)15-19(25-17(3)11-10-12-24)22-21(23)16(2)14-18(4)26-22/h14-15,17,25H,6-13,24H2,1-5H3
InChIKeyRXTDBWDATAWPKC-UHFFFAOYSA-N
XLogP5.36
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine (CID 15595297) is 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine is CCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)cc(C)c12.
What is the InChIKey of 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is RXTDBWDATAWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-6-7-8-9-13-28-23-20(27-5)15-19(25-17(3)11-10-12-24)22-21(23)16(2)14-18(4)26-22/h14-15,17,25H,6-13,24H2,1-5H3.
What are the key properties of 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine?
4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 387.57 g/mol, XLogP of 5.36, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-hexoxy-6-methoxy-2,4-dimethylquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 15595297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).