3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

C25H32N2O5 — CID 27604624

IUPAC3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O5/c1-5-23(28)27-13-9-10-17-11-12-19(16-20(17)27)26-25(29)18-14-21(30-6-2)24(32-8-4)22(15-18)31-7-3/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29)
InChIKeyWXJAYRVDAIJLRZ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.82
Rot. Bonds9

About 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (PubChem CID 27604624) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
PubChem CID27604624
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O5/c1-5-23(28)27-13-9-10-17-11-12-19(16-20(17)27)26-25(29)18-14-21(30-6-2)24(32-8-4)22(15-18)31-7-3/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29)
InChIKeyWXJAYRVDAIJLRZ-UHFFFAOYSA-N
XLogP4.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide 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

4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (CID 27604624) is 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The InChIKey is WXJAYRVDAIJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-23(28)27-13-9-10-17-11-12-19(16-20(17)27)26-25(29)18-14-21(30-6-2)24(32-8-4)22(15-18)31-7-3/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29).
What are the key properties of 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is sourced from PubChem (CID 27604624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).