3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide

C22H25N3O — CID 122192095

IUPAC3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide
SMILESCCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N
InChIInChI=1S/C22H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26)
InChIKeyAFHVJGVQTUATRF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.24
Rot. Bonds7

About 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide

3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide (PubChem CID 122192095) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide
PubChem CID122192095
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide
SMILESCCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N
InChIInChI=1S/C22H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26)
InChIKeyAFHVJGVQTUATRF-UHFFFAOYSA-N
XLogP4.24
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide?
The IUPAC name of 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide (CID 122192095) is 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide?
The canonical SMILES for 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide is CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N.
What is the InChIKey of 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide?
The InChIKey is AFHVJGVQTUATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26).
What are the key properties of 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide?
3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide is sourced from PubChem (CID 122192095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).