1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

C19H24IN5O — CID 111355461

IUPAC1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)NCCc1ccco1.I
InChIInChI=1S/C19H23N5O.HI/c1-20-19(22-11-10-16-6-4-14-25-16)23-13-12-21-18-9-8-15-5-2-3-7-17(15)24-18;/h2-9,14H,10-13H2,1H3,(H,21,24)(H2,20,22,23);1H
InChIKeyLHBLUQPRKURAHH-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (PubChem CID 111355461) has the molecular formula C19H24IN5O and a molecular weight of 465.34 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
PubChem CID111355461
Molecular FormulaC19H24IN5O
Molecular Weight465.34 g/mol
Exact Mass465.10
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)NCCc1ccco1.I
InChIInChI=1S/C19H23N5O.HI/c1-20-19(22-11-10-16-6-4-14-25-16)23-13-12-21-18-9-8-15-5-2-3-7-17(15)24-18;/h2-9,14H,10-13H2,1H3,(H,21,24)(H2,20,22,23);1H
InChIKeyLHBLUQPRKURAHH-UHFFFAOYSA-N
XLogP3.27
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.27
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 110934395
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111193168
1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354676
2-methyl-1-[2-(quinolin-2-ylamino)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471631
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111405947
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111523855
1-[2-(2-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355633
1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353768
1-[(2-ethylphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111635870
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111351571
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110051998
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111356221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (CID 111355461) is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is C/N=C(/NCCNc1ccc2ccccc2n1)NCCc1ccco1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The InChIKey is LHBLUQPRKURAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.HI/c1-20-19(22-11-10-16-6-4-14-25-16)23-13-12-21-18-9-8-15-5-2-3-7-17(15)24-18;/h2-9,14H,10-13H2,1H3,(H,21,24)(H2,20,22,23);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide has a molecular weight of 465.34 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111355461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).