1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine

C27H30N4O2 — CID 109376043

IUPAC1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OCc2ccccc2)cc1)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C27H30N4O2/c1-2-28-27(30-18-22-16-26(32)31-25-11-7-6-10-24(22)25)29-17-20-12-14-23(15-13-20)33-19-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3,(H,31,32)(H2,28,29,30)
InChIKeyPTOZLBWVVXMRIH-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.45
Rot. Bonds8

About 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine

1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine (PubChem CID 109376043) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine
PubChem CID109376043
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OCc2ccccc2)cc1)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C27H30N4O2/c1-2-28-27(30-18-22-16-26(32)31-25-11-7-6-10-24(22)25)29-17-20-12-14-23(15-13-20)33-19-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3,(H,31,32)(H2,28,29,30)
InChIKeyPTOZLBWVVXMRIH-UHFFFAOYSA-N
XLogP4.45
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 109376035
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 109375898
1-[4-[[[ethylamino-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methylamino]methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 109375951
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 109375977
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 109376030
1,3-diethyl-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110926802
2-benzyl-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylguanidine
CID 110954756
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 109375914
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 109375956
1,3-diethyl-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110925501
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 86780927
1-ethyl-3-[3-(3-methoxyphenyl)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 109375936

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine (CID 109376043) is 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine is CCN/C(=N\Cc1ccc(OCc2ccccc2)cc1)NCC1CC(=O)Nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine?
The InChIKey is PTOZLBWVVXMRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-2-28-27(30-18-22-16-26(32)31-25-11-7-6-10-24(22)25)29-17-20-12-14-23(15-13-20)33-19-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3,(H,31,32)(H2,28,29,30).
What are the key properties of 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine?
1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine has a molecular weight of 442.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 109376043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).