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

C17H25N3O — CID 12529741

IUPAC4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCc1ccnc2c(NC(C)CCCN)cc(OC)cc12
InChIInChI=1S/C17H25N3O/c1-4-13-7-9-19-17-15(13)10-14(21-3)11-16(17)20-12(2)6-5-8-18/h7,9-12,20H,4-6,8,18H2,1-3H3
InChIKeyKDUINSAEPGRYKZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.35
Rot. Bonds7

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

4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine (PubChem CID 12529741) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
PubChem CID12529741
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCc1ccnc2c(NC(C)CCCN)cc(OC)cc12
InChIInChI=1S/C17H25N3O/c1-4-13-7-9-19-17-15(13)10-14(21-3)11-16(17)20-12(2)6-5-8-18/h7,9-12,20H,4-6,8,18H2,1-3H3
InChIKeyKDUINSAEPGRYKZ-UHFFFAOYSA-N
XLogP3.35
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine (CID 12529741) is 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine is CCc1ccnc2c(NC(C)CCCN)cc(OC)cc12.
What is the InChIKey of 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is KDUINSAEPGRYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13-7-9-19-17-15(13)10-14(21-3)11-16(17)20-12(2)6-5-8-18/h7,9-12,20H,4-6,8,18H2,1-3H3.
What are the key properties of 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 12529741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).