2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

C20H24IN5O — CID 111822384

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)c1.I
InChIInChI=1S/C20H23N5O.HI/c1-25(2)19-11-14(17-9-4-5-10-18(17)24-19)13-22-20(21)23-15-7-6-8-16(12-15)26-3;/h4-12H,13H2,1-3H3,(H3,21,22,23);1H
InChIKeyMVXHANQYORARIP-UHFFFAOYSA-N
MW477.35 g/mol
LogP3.85
Rot. Bonds5

About 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111822384) has the molecular formula C20H24IN5O and a molecular weight of 477.35 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID111822384
Molecular FormulaC20H24IN5O
Molecular Weight477.35 g/mol
Exact Mass477.10
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)c1.I
InChIInChI=1S/C20H23N5O.HI/c1-25(2)19-11-14(17-9-4-5-10-18(17)24-19)13-22-20(21)23-15-7-6-8-16(12-15)26-3;/h4-12H,13H2,1-3H3,(H3,21,22,23);1H
InChIKeyMVXHANQYORARIP-UHFFFAOYSA-N
XLogP3.85
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083964
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111078858
1-(3-methoxyphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809385
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine
CID 111822310
1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 111822384) is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)c1.I.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is MVXHANQYORARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.HI/c1-25(2)19-11-14(17-9-4-5-10-18(17)24-19)13-22-20(21)23-15-7-6-8-16(12-15)26-3;/h4-12H,13H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 477.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111822384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).