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

C18H21N3O2 — CID 3075009

IUPAC2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc3c(nc2OC)CCCC3)cc1
InChIInChI=1S/C18H21N3O2/c1-22-14-9-7-13(8-10-14)20-17(19)15-11-12-5-3-4-6-16(12)21-18(15)23-2/h7-11H,3-6H2,1-2H3,(H2,19,20)
InChIKeyUWZWPWBLKAMUBP-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.01
Rot. Bonds4

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

2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 3075009) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID3075009
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc3c(nc2OC)CCCC3)cc1
InChIInChI=1S/C18H21N3O2/c1-22-14-9-7-13(8-10-14)20-17(19)15-11-12-5-3-4-6-16(12)21-18(15)23-2/h7-11H,3-6H2,1-2H3,(H2,19,20)
InChIKeyUWZWPWBLKAMUBP-UHFFFAOYSA-N
XLogP3.01
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 3075009) is 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is COc1ccc(/N=C(\N)c2cc3c(nc2OC)CCCC3)cc1.
What is the InChIKey of 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is UWZWPWBLKAMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-22-14-9-7-13(8-10-14)20-17(19)15-11-12-5-3-4-6-16(12)21-18(15)23-2/h7-11H,3-6H2,1-2H3,(H2,19,20).
What are the key properties of 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 311.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 3075009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).