4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

C27H28N2O3 — CID 10764989

IUPAC4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H28N2O3/c1-2-3-19-32-24-16-12-21(13-17-24)26(30)28-23-14-10-22(11-15-23)27(31)29-18-6-8-20-7-4-5-9-25(20)29/h4-5,7,9-17H,2-3,6,8,18-19H2,1H3,(H,28,30)
InChIKeyVYNAEZGAUWDKEZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.71
Rot. Bonds7

About 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 10764989) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID10764989
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H28N2O3/c1-2-3-19-32-24-16-12-21(13-17-24)26(30)28-23-14-10-22(11-15-23)27(31)29-18-6-8-20-7-4-5-9-25(20)29/h4-5,7,9-17H,2-3,6,8,18-19H2,1H3,(H,28,30)
InChIKeyVYNAEZGAUWDKEZ-UHFFFAOYSA-N
XLogP5.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 10764989) is 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is VYNAEZGAUWDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-2-3-19-32-24-16-12-21(13-17-24)26(30)28-23-14-10-22(11-15-23)27(31)29-18-6-8-20-7-4-5-9-25(20)29/h4-5,7,9-17H,2-3,6,8,18-19H2,1H3,(H,28,30).
What are the key properties of 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 10764989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).