2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C18H21N3O — CID 3075008

IUPAC2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCOc1nc2c(cc1/C(N)=N/c1ccc(C)cc1)CCCC2
InChIInChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-17(19)15-11-13-5-3-4-6-16(13)21-18(15)22-2/h7-11H,3-6H2,1-2H3,(H2,19,20)
InChIKeyKYYQGFLOKXWBND-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.31
Rot. Bonds3

About 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 3075008) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID3075008
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCOc1nc2c(cc1/C(N)=N/c1ccc(C)cc1)CCCC2
InChIInChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-17(19)15-11-13-5-3-4-6-16(13)21-18(15)22-2/h7-11H,3-6H2,1-2H3,(H2,19,20)
InChIKeyKYYQGFLOKXWBND-UHFFFAOYSA-N
XLogP3.31
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 3075008) is 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is COc1nc2c(cc1/C(N)=N/c1ccc(C)cc1)CCCC2.
What is the InChIKey of 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is KYYQGFLOKXWBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-17(19)15-11-13-5-3-4-6-16(13)21-18(15)22-2/h7-11H,3-6H2,1-2H3,(H2,19,20).
What are the key properties of 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 3075008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).