4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid

C23H19NO5 — CID 69058213

IUPAC4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
SMILESCCOC(=O)c1c2ccccc2n2cc(OCc3ccc(C(=O)O)cc3)ccc12
InChIInChI=1S/C23H19NO5/c1-2-28-23(27)21-18-5-3-4-6-19(18)24-13-17(11-12-20(21)24)29-14-15-7-9-16(10-8-15)22(25)26/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyMDKXFCZPLYFSKO-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.55
Rot. Bonds6

About 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid

4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid (PubChem CID 69058213) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
PubChem CID69058213
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
SMILESCCOC(=O)c1c2ccccc2n2cc(OCc3ccc(C(=O)O)cc3)ccc12
InChIInChI=1S/C23H19NO5/c1-2-28-23(27)21-18-5-3-4-6-19(18)24-13-17(11-12-20(21)24)29-14-15-7-9-16(10-8-15)22(25)26/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyMDKXFCZPLYFSKO-UHFFFAOYSA-N
XLogP4.55
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic 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 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667453
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666885
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667174
4-phenylmethoxybenzoic acid
CID 68896574
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130

Frequently Asked Questions

What is the IUPAC name of 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid?
The IUPAC name of 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid (CID 69058213) is 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid?
The canonical SMILES for 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid is CCOC(=O)c1c2ccccc2n2cc(OCc3ccc(C(=O)O)cc3)ccc12.
What is the InChIKey of 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid?
The InChIKey is MDKXFCZPLYFSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-2-28-23(27)21-18-5-3-4-6-19(18)24-13-17(11-12-20(21)24)29-14-15-7-9-16(10-8-15)22(25)26/h3-13H,2,14H2,1H3,(H,25,26).
What are the key properties of 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid?
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid has a molecular weight of 389.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 69058213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).