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

C18H20N4O2 — CID 111823663

IUPAC1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H20N4O2/c1-24-14-8-6-13(7-9-14)21-18(19)20-11-12-10-17(23)22-16-5-3-2-4-15(12)16/h2-9,12H,10-11H2,1H3,(H,22,23)(H3,19,20,21)
InChIKeyKRHFJSXMGGOGEI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.55
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (PubChem CID 111823663) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
PubChem CID111823663
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H20N4O2/c1-24-14-8-6-13(7-9-14)21-18(19)20-11-12-10-17(23)22-16-5-3-2-4-15(12)16/h2-9,12H,10-11H2,1H3,(H,22,23)(H3,19,20,21)
InChIKeyKRHFJSXMGGOGEI-UHFFFAOYSA-N
XLogP2.55
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (CID 111823663) is 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is COc1ccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The InChIKey is KRHFJSXMGGOGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-14-8-6-13(7-9-14)21-18(19)20-11-12-10-17(23)22-16-5-3-2-4-15(12)16/h2-9,12H,10-11H2,1H3,(H,22,23)(H3,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine has a molecular weight of 324.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is sourced from PubChem (CID 111823663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).