N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

C21H26N2O2 — CID 122188233

IUPACN-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-10-9-17-13-19(25-2)11-12-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,11-13,18H,3,9-10,14-15H2,1-2H3,(H,22,24)
InChIKeyFSEJSMBLNHLXAI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds6

About N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 122188233) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID122188233
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-10-9-17-13-19(25-2)11-12-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,11-13,18H,3,9-10,14-15H2,1-2H3,(H,22,24)
InChIKeyFSEJSMBLNHLXAI-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2753
Para-methoxybutyryl fentanyl
CID 118796493
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
Ucm1014
CID 121231413
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 122188233) is N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is FSEJSMBLNHLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-10-9-17-13-19(25-2)11-12-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,11-13,18H,3,9-10,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 122188233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).