2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine

C24H24N4O3 — CID 111598720

IUPAC2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c25-24(27-18-5-4-8-21(16-18)31-19-6-2-1-3-7-19)26-13-14-30-20-10-11-22-17(15-20)9-12-23(29)28-22/h1-8,10-11,15-16H,9,12-14H2,(H,28,29)(H3,25,26,27)
InChIKeySRFHRCXPJCDPLP-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.17
Rot. Bonds7

About 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine

2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111598720) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111598720
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c25-24(27-18-5-4-8-21(16-18)31-19-6-2-1-3-7-19)26-13-14-30-20-10-11-22-17(15-20)9-12-23(29)28-22/h1-8,10-11,15-16H,9,12-14H2,(H,28,29)(H3,25,26,27)
InChIKeySRFHRCXPJCDPLP-UHFFFAOYSA-N
XLogP4.17
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.17
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-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111057794
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898
1-ethyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111004911
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111057766
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111057765
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 120606157
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine (CID 111598720) is 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine is N/C(=N\CCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is SRFHRCXPJCDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c25-24(27-18-5-4-8-21(16-18)31-19-6-2-1-3-7-19)26-13-14-30-20-10-11-22-17(15-20)9-12-23(29)28-22/h1-8,10-11,15-16H,9,12-14H2,(H,28,29)(H3,25,26,27).
What are the key properties of 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine?
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 416.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).