N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C29H28N2O5 — CID 127024769

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C29H28N2O5/c1-17-8-9-19-14-21(10-13-24(19)31(17)29(35)23-12-11-22(32)16-25(23)33)28(34)30(3)18(2)27-15-20-6-4-5-7-26(20)36-27/h4-7,10-18,32-33H,8-9H2,1-3H3
InChIKeyOFVWPLPGVMYLFN-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.66
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 127024769) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID127024769
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C29H28N2O5/c1-17-8-9-19-14-21(10-13-24(19)31(17)29(35)23-12-11-22(32)16-25(23)33)28(34)30(3)18(2)27-15-20-6-4-5-7-26(20)36-27/h4-7,10-18,32-33H,8-9H2,1-3H3
InChIKeyOFVWPLPGVMYLFN-UHFFFAOYSA-N
XLogP5.66
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-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

6-methoxy-3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71459553
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 151777753
3-(2,3-Dihydro-benzofuran-5-yl)-2-(6-hydroxy-benzofuran-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11826705
1-[1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-1-benzofuran-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 44279459
N-[(5-bromofuran-2-yl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxybenzamide
CID 149986651
N-(4-(Dimethylcarbamoyl)phenyl)-2,4-dihydroxy-N-((5-iodofuran-2-yl)methyl)benzamide
CID 151004457
N-[4-(dimethylcarbamoyl)phenyl]-N-[(furan-2-yl)methyl]-2,4-dihydroxybenzamide
CID 151026196
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-4-one
CID 164609306
(2,4-dihydroxyphenyl)-[2-(furan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967683
1,3-dihydroisoindol-2-yl-[1-(2,4-dihydroxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methanone
CID 117967734
1-(2,4-dihydroxybenzoyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 117970624
2-[[1-(2,4-dihydroxybenzoyl)-3,4-dihydro-2H-quinoline-6-carbonyl]-methylamino]acetic acid
CID 117970830

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 127024769) is N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is OFVWPLPGVMYLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-17-8-9-19-14-21(10-13-24(19)31(17)29(35)23-12-11-22(32)16-25(23)33)28(34)30(3)18(2)27-15-20-6-4-5-7-26(20)36-27/h4-7,10-18,32-33H,8-9H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 127024769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).