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

C15H21N3O — CID 4908

IUPAC4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
InChIKeyINDBQLZJXZLFIT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds6

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

4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine (PubChem CID 4908) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
PubChem CID4908
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
InChIKeyINDBQLZJXZLFIT-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sitamaquine
CID 42548
Primaquine Diphosphate
CID 6135
Quinocide
CID 68928
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
6-Methoxy-8-quinolinamine
CID 7023
(+)-Primaquine
CID 3044369
6-Methoxyquinoline
CID 14860
8-Aminoquinolin-6-ol
CID 244284
N-(6-Methoxy-8-quinolinyl)-4-methylbenzenesulfonamide
CID 130606
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
WR 242511
CID 133658
6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine (CID 4908) is 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine is COc1cc(NC(C)CCCN)c2ncccc2c1.
What is the InChIKey of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is INDBQLZJXZLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3.
What are the key properties of 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine?
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 4908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).