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

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

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Related Compounds

4-N-[6-methoxy-4-[(Z)-2-methylbut-1-enyl]quinolin-8-yl]pentane-1,4-diamine
CID 90677976
4-N-[4-[(5-butoxy-4-ethyl-6-methoxyquinolin-8-yl)amino]pentyl]pentane-1,4-diamine;hydrochloride
CID 90665532
4-N-[4-[(4-ethyl-6-methoxy-5-pentoxyquinolin-8-yl)amino]pentyl]pentane-1,4-diamine;hydrochloride
CID 90665534
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 90672251
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
but-2-enedioic acid;4-N-(6-methoxy-5-propoxyquinolin-8-yl)pentane-1,4-diamine
CID 70478311
4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827756
but-2-enedioic acid;4-N-(6-methoxy-4-methyl-5-pentoxyquinolin-8-yl)pentane-1,4-diamine
CID 70478090
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815

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).