2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine

C16H23N5O — CID 5160911

IUPAC2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
SMILESCOc1cc(NCCCCCN=C(N)N)c2ncccc2c1
InChIInChI=1S/C16H23N5O/c1-22-13-10-12-6-5-9-20-15(12)14(11-13)19-7-3-2-4-8-21-16(17)18/h5-6,9-11,19H,2-4,7-8H2,1H3,(H4,17,18,21)
InChIKeyOJKBBXSHHJQPJI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.10
Rot. Bonds8

About 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine

2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine (PubChem CID 5160911) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine.

Molecular Properties

Compound Name2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
PubChem CID5160911
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
SMILESCOc1cc(NCCCCCN=C(N)N)c2ncccc2c1
InChIInChI=1S/C16H23N5O/c1-22-13-10-12-6-5-9-20-15(12)14(11-13)19-7-3-2-4-8-21-16(17)18/h5-6,9-11,19H,2-4,7-8H2,1H3,(H4,17,18,21)
InChIKeyOJKBBXSHHJQPJI-UHFFFAOYSA-N
XLogP2.10
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
dihydroxy(oxo)azanium;2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]guanidine
CID 6331885
1-(diaminomethylidene)-2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]-3-propan-2-ylguanidine
CID 76852179
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 6332174
1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride
CID 54611977
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
(2S)-2,6-diamino-N-[(2S)-5-(diaminomethylideneamino)-1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-1-oxopentan-2-yl]hexanamide
CID 10650183
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
CID 54603031
N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
CID 131882377
N'-(6-methoxyquinolin-8-yl)-N-[3-[6-[3-[[4-[(6-methoxyquinolin-8-yl)amino]-4-oxobutanoyl]amino]propylamino]hexylamino]propyl]butanediamide
CID 164627794
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
CID 54605470

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine?
The IUPAC name of 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine (CID 5160911) is 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine.
What is the SMILES notation for 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine?
The canonical SMILES for 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine is COc1cc(NCCCCCN=C(N)N)c2ncccc2c1.
What is the InChIKey of 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine?
The InChIKey is OJKBBXSHHJQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-22-13-10-12-6-5-9-20-15(12)14(11-13)19-7-3-2-4-8-21-16(17)18/h5-6,9-11,19H,2-4,7-8H2,1H3,(H4,17,18,21).
What are the key properties of 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine?
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine has a molecular weight of 301.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine is sourced from PubChem (CID 5160911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).