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

C22H25N3O2 — CID 68829917

IUPAC2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C22H25N3O2/c1-2-3-9-19-18(13-23)22(15-7-5-4-6-8-15)17-12-16(27-14-21(24)26)10-11-20(17)25-19/h4-8,10-12H,2-3,9,13-14,23H2,1H3,(H2,24,26)
InChIKeyCZDSYRQPDXITSP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds8

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

2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide (PubChem CID 68829917) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide
PubChem CID68829917
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C22H25N3O2/c1-2-3-9-19-18(13-23)22(15-7-5-4-6-8-15)17-12-16(27-14-21(24)26)10-11-20(17)25-19/h4-8,10-12H,2-3,9,13-14,23H2,1H3,(H2,24,26)
InChIKeyCZDSYRQPDXITSP-UHFFFAOYSA-N
XLogP3.57
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide (CID 68829917) is 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide is CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide?
The InChIKey is CZDSYRQPDXITSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-3-9-19-18(13-23)22(15-7-5-4-6-8-15)17-12-16(27-14-21(24)26)10-11-20(17)25-19/h4-8,10-12H,2-3,9,13-14,23H2,1H3,(H2,24,26).
What are the key properties of 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide has a molecular weight of 363.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68829917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).