1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine

C19H29N3O — CID 141175869

IUPAC1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
SMILESCCC(N)CCCCCNc1cc(OC)cc2c(C)ccnc12
InChIInChI=1S/C19H29N3O/c1-4-15(20)8-6-5-7-10-21-18-13-16(23-3)12-17-14(2)9-11-22-19(17)18/h9,11-13,15,21H,4-8,10,20H2,1-3H3
InChIKeyCVVVFNOIGUKELL-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.26
Rot. Bonds9

About 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine

1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine (PubChem CID 141175869) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine.

Molecular Properties

Compound Name1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
PubChem CID141175869
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
SMILESCCC(N)CCCCCNc1cc(OC)cc2c(C)ccnc12
InChIInChI=1S/C19H29N3O/c1-4-15(20)8-6-5-7-10-21-18-13-16(23-3)12-17-14(2)9-11-22-19(17)18/h9,11-13,15,21H,4-8,10,20H2,1-3H3
InChIKeyCVVVFNOIGUKELL-UHFFFAOYSA-N
XLogP4.26
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine?
The IUPAC name of 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine (CID 141175869) is 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine.
What is the SMILES notation for 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine?
The canonical SMILES for 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine is CCC(N)CCCCCNc1cc(OC)cc2c(C)ccnc12.
What is the InChIKey of 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine?
The InChIKey is CVVVFNOIGUKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-15(20)8-6-5-7-10-21-18-13-16(23-3)12-17-14(2)9-11-22-19(17)18/h9,11-13,15,21H,4-8,10,20H2,1-3H3.
What are the key properties of 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine?
1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine has a molecular weight of 315.46 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine is sourced from PubChem (CID 141175869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).