2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide

C23H26N2O2 — CID 55651536

IUPAC2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCOC(C)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C23H26N2O2/c1-16-10-11-20-15-21(17(2)25-22(20)14-16)23(26)24-12-7-13-27-18(3)19-8-5-4-6-9-19/h4-6,8-11,14-15,18H,7,12-13H2,1-3H3,(H,24,26)
InChIKeyUPIRQVPLJJWWFC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.75
Rot. Bonds7

About 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide

2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide (PubChem CID 55651536) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
PubChem CID55651536
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCOC(C)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C23H26N2O2/c1-16-10-11-20-15-21(17(2)25-22(20)14-16)23(26)24-12-7-13-27-18(3)19-8-5-4-6-9-19/h4-6,8-11,14-15,18H,7,12-13H2,1-3H3,(H,24,26)
InChIKeyUPIRQVPLJJWWFC-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46557208

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide (CID 55651536) is 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCCCOC(C)c3ccccc3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide?
The InChIKey is UPIRQVPLJJWWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-10-11-20-15-21(17(2)25-22(20)14-16)23(26)24-12-7-13-27-18(3)19-8-5-4-6-9-19/h4-6,8-11,14-15,18H,7,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide?
2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 55651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).