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

C22H35N3O2 — CID 15595294

IUPAC4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)ccc12
InChIInChI=1S/C22H35N3O2/c1-5-6-7-8-14-27-22-18-12-11-17(3)25-21(18)19(15-20(22)26-4)24-16(2)10-9-13-23/h11-12,15-16,24H,5-10,13-14,23H2,1-4H3
InChIKeyIWSAVABUTOPSQU-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.05
Rot. Bonds12

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

4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine (PubChem CID 15595294) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine
PubChem CID15595294
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)ccc12
InChIInChI=1S/C22H35N3O2/c1-5-6-7-8-14-27-22-18-12-11-17(3)25-21(18)19(15-20(22)26-4)24-16(2)10-9-13-23/h11-12,15-16,24H,5-10,13-14,23H2,1-4H3
InChIKeyIWSAVABUTOPSQU-UHFFFAOYSA-N
XLogP5.05
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.05
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-methylquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine (CID 15595294) is 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine is CCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C)ccc12.
What is the InChIKey of 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is IWSAVABUTOPSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-6-7-8-14-27-22-18-12-11-17(3)25-21(18)19(15-20(22)26-4)24-16(2)10-9-13-23/h11-12,15-16,24H,5-10,13-14,23H2,1-4H3.
What are the key properties of 4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine?
4-N-(5-hexoxy-6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 373.54 g/mol, XLogP of 5.05, 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-methylquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 15595294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).