2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid

C48H37N3O7 — CID 146345324

IUPAC2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid
SMILESCCc1ccc(C)c2nc(-c3oc4cccc(-c5cccc6oc(-c7cc(C(=O)O)c8c(OCc9cccnc9)ccc(C)c8n7)c(C)c56)c4c3C)cc(C(=O)O)c12
InChIInChI=1S/C48H37N3O7/c1-6-29-17-15-24(2)43-41(29)32(47(52)53)20-34(50-43)45-26(4)39-30(11-7-13-37(39)57-45)31-12-8-14-38-40(31)27(5)46(58-38)35-21-33(48(54)55)42-36(18-16-25(3)44(42)51-35)56-23-28-10-9-19-49-22-28/h7-22H,6,23H2,1-5H3,(H,52,53)(H,54,55)
InChIKeyKUZQAUAQHGJXSA-UHFFFAOYSA-N
MW767.84 g/mol
LogP11.44
Rot. Bonds9

About 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid

2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid (PubChem CID 146345324) has the molecular formula C48H37N3O7 and a molecular weight of 767.84 g/mol. Its IUPAC name is 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid
PubChem CID146345324
Molecular FormulaC48H37N3O7
Molecular Weight767.84 g/mol
Exact Mass767.26
IUPAC Name2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid
SMILESCCc1ccc(C)c2nc(-c3oc4cccc(-c5cccc6oc(-c7cc(C(=O)O)c8c(OCc9cccnc9)ccc(C)c8n7)c(C)c56)c4c3C)cc(C(=O)O)c12
InChIInChI=1S/C48H37N3O7/c1-6-29-17-15-24(2)43-41(29)32(47(52)53)20-34(50-43)45-26(4)39-30(11-7-13-37(39)57-45)31-12-8-14-38-40(31)27(5)46(58-38)35-21-33(48(54)55)42-36(18-16-25(3)44(42)51-35)56-23-28-10-9-19-49-22-28/h7-22H,6,23H2,1-5H3,(H,52,53)(H,54,55)
InChIKeyKUZQAUAQHGJXSA-UHFFFAOYSA-N
XLogP11.44
TPSA148.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.84
LogP ≤ 511.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid 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

methyl 8-ethyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinoline-4-carboxylate
CID 126751106
8-ethyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinoline-4-carbonyl chloride
CID 126751272
5-methoxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 140923725
8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027760
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(piperidin-4-ylmethoxy)quinoline-4-carboxylic acid
CID 145293155
5-[(4-hydroxy-4-methylcyclohexyl)methoxy]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 129027776
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[(3R)-oxan-3-yl]methoxy]quinoline-4-carboxylic acid
CID 146346028
8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(3-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027767
5-[[(3R,4S)-3-methoxyoxan-4-yl]methoxy]-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 129027703
2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027759
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide
CID 163862086
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(4-phenylcyclohexyl)oxyquinoline-4-carboxylic acid
CID 129028019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid (CID 146345324) is 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid is CCc1ccc(C)c2nc(-c3oc4cccc(-c5cccc6oc(-c7cc(C(=O)O)c8c(OCc9cccnc9)ccc(C)c8n7)c(C)c56)c4c3C)cc(C(=O)O)c12.
What is the InChIKey of 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid?
The InChIKey is KUZQAUAQHGJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3O7/c1-6-29-17-15-24(2)43-41(29)32(47(52)53)20-34(50-43)45-26(4)39-30(11-7-13-37(39)57-45)31-12-8-14-38-40(31)27(5)46(58-38)35-21-33(48(54)55)42-36(18-16-25(3)44(42)51-35)56-23-28-10-9-19-49-22-28/h7-22H,6,23H2,1-5H3,(H,52,53)(H,54,55).
What are the key properties of 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid?
2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid has a molecular weight of 767.84 g/mol, XLogP of 11.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 146345324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).