1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine

C18H21N5O — CID 110934395

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)NCc1ccco1
InChIInChI=1S/C18H21N5O/c1-19-18(22-13-15-6-4-12-24-15)21-11-10-20-17-9-8-14-5-2-3-7-16(14)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyLIORBSGNSKXRQC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds6

About 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine

1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine (PubChem CID 110934395) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
PubChem CID110934395
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)NCc1ccco1
InChIInChI=1S/C18H21N5O/c1-19-18(22-13-15-6-4-12-24-15)21-11-10-20-17-9-8-14-5-2-3-7-16(14)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyLIORBSGNSKXRQC-UHFFFAOYSA-N
XLogP2.60
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
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

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111355461
2-methyl-1-[2-(quinolin-2-ylamino)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471631
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111523855
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111193168
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111405947
2-methyl-1-(2-methylcyclopropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111961988
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354676
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111644544
1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
CID 110934708
1-(furan-2-ylmethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine
CID 110934323
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine (CID 110934395) is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine is C/N=C(/NCCNc1ccc2ccccc2n1)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The InChIKey is LIORBSGNSKXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-19-18(22-13-15-6-4-12-24-15)21-11-10-20-17-9-8-14-5-2-3-7-16(14)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)(H2,19,21,22).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine has a molecular weight of 323.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 110934395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).