ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C22H19NO4 — CID 622700

IUPACethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(O)cc1
InChIInChI=1S/C22H19NO4/c1-3-27-22(26)17-12(2)23-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(24)11-9-13/h4-11,18,23-24H,3H2,1-2H3
InChIKeyRPUFWMDMKAQHTF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds3

About ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 622700) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID622700
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Nameethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(O)cc1
InChIInChI=1S/C22H19NO4/c1-3-27-22(26)17-12(2)23-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(24)11-9-13/h4-11,18,23-24H,3H2,1-2H3
InChIKeyRPUFWMDMKAQHTF-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Related Compounds

10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3748676
10-(3-hydroxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 2937056
10-(4-hydroxyphenyl)-7,7-dimethyl-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 2918019
Sortin1
CID 2888976
10-(4-ethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 2913727
Ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2829289
Methyl 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate
CID 2829290
Butan-2-yl 4-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2863762
Ethyl 2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]-3-(4-hydroxyphenyl)propanoate
CID 3111382
methyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
CID 3138689
Methyl 4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 3139305
methyl 4-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
CID 3694555

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 622700) is ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(O)cc1.
What is the InChIKey of ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is RPUFWMDMKAQHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-3-27-22(26)17-12(2)23-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(24)11-9-13/h4-11,18,23-24H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 622700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).