N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide

C14H20N2O3 — CID 11780382

IUPACN-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
SMILESCOc1cc2c(cc1OC)C(CNC(C)=O)CCN2
InChIInChI=1S/C14H20N2O3/c1-9(17)16-8-10-4-5-15-12-7-14(19-3)13(18-2)6-11(10)12/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUBWWLDGODJYCIP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.74
Rot. Bonds4

About N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide

N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide (PubChem CID 11780382) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
PubChem CID11780382
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
SMILESCOc1cc2c(cc1OC)C(CNC(C)=O)CCN2
InChIInChI=1S/C14H20N2O3/c1-9(17)16-8-10-4-5-15-12-7-14(19-3)13(18-2)6-11(10)12/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUBWWLDGODJYCIP-UHFFFAOYSA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide?
The IUPAC name of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide (CID 11780382) is N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide is COc1cc2c(cc1OC)C(CNC(C)=O)CCN2.
What is the InChIKey of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide?
The InChIKey is UBWWLDGODJYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(17)16-8-10-4-5-15-12-7-14(19-3)13(18-2)6-11(10)12/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide?
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 11780382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).