2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide

C23H27N3O2 — CID 68829908

IUPAC2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESCCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C23H27N3O2/c1-2-3-5-10-20-19(14-24)23(16-8-6-4-7-9-16)18-13-17(28-15-22(25)27)11-12-21(18)26-20/h4,6-9,11-13H,2-3,5,10,14-15,24H2,1H3,(H2,25,27)
InChIKeyIXJFUSUUTSDHSM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.96
Rot. Bonds9

About 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide

2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide (PubChem CID 68829908) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide
PubChem CID68829908
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESCCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C23H27N3O2/c1-2-3-5-10-20-19(14-24)23(16-8-6-4-7-9-16)18-13-17(28-15-22(25)27)11-12-21(18)26-20/h4,6-9,11-13H,2-3,5,10,14-15,24H2,1H3,(H2,25,27)
InChIKeyIXJFUSUUTSDHSM-UHFFFAOYSA-N
XLogP3.96
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethacridine Lactate
CID 15789
Ethacridine
CID 2017
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
CID 165457
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
6-Ethoxy-2-methylquinoline
CID 81118
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
(S)-N-Hydroxy-2-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-propionamide
CID 9953861
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide (CID 68829908) is 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide is CCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide?
The InChIKey is IXJFUSUUTSDHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-3-5-10-20-19(14-24)23(16-8-6-4-7-9-16)18-13-17(28-15-22(25)27)11-12-21(18)26-20/h4,6-9,11-13H,2-3,5,10,14-15,24H2,1H3,(H2,25,27).
What are the key properties of 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide has a molecular weight of 377.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68829908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).