4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine

C24H39N3O2 — CID 171355615

IUPAC4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C(C)(C)C)ccc12
InChIInChI=1S/C24H39N3O2/c1-7-8-9-15-29-23-18-12-13-21(24(3,4)5)27-22(18)19(16-20(23)28-6)26-17(2)11-10-14-25/h12-13,16-17,26H,7-11,14-15,25H2,1-6H3
InChIKeyRTUYDDHREWTEKG-UHFFFAOYSA-N
MW401.60 g/mol
LogP5.65
Rot. Bonds11

About 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine

4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine (PubChem CID 171355615) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine
PubChem CID171355615
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C(C)(C)C)ccc12
InChIInChI=1S/C24H39N3O2/c1-7-8-9-15-29-23-18-12-13-21(24(3,4)5)27-22(18)19(16-20(23)28-6)26-17(2)11-10-14-25/h12-13,16-17,26H,7-11,14-15,25H2,1-6H3
InChIKeyRTUYDDHREWTEKG-UHFFFAOYSA-N
XLogP5.65
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 55.65
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-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine (CID 171355615) is 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine is CCCCCOc1c(OC)cc(NC(C)CCCN)c2nc(C(C)(C)C)ccc12.
What is the InChIKey of 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is RTUYDDHREWTEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-7-8-9-15-29-23-18-12-13-21(24(3,4)5)27-22(18)19(16-20(23)28-6)26-17(2)11-10-14-25/h12-13,16-17,26H,7-11,14-15,25H2,1-6H3.
What are the key properties of 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine?
4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 401.60 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butyl-6-methoxy-5-pentoxyquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 171355615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).