N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide

C22H26N2O2 — CID 3122734

IUPACN-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
SMILESCCCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C
InChIInChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3
InChIKeyHNPXEKAXUIALNQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds4

About N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide

N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide (PubChem CID 3122734) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
PubChem CID3122734
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
SMILESCCCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C
InChIInChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3
InChIKeyHNPXEKAXUIALNQ-UHFFFAOYSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide 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 N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide?
The IUPAC name of N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide (CID 3122734) is N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide.
What is the SMILES notation for N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide?
The canonical SMILES for N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide is CCCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C.
What is the InChIKey of N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide?
The InChIKey is HNPXEKAXUIALNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3.
What are the key properties of N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide?
N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide is sourced from PubChem (CID 3122734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).