methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C25H23NO5 — CID 3694555

IUPACmethyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESC=CCOc1ccc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC
InChIInChI=1S/C25H23NO5/c1-5-12-31-18-11-10-15(13-19(18)29-3)21-20(25(28)30-4)14(2)26-23-16-8-6-7-9-17(16)24(27)22(21)23/h5-11,13,21,26H,1,12H2,2-4H3
InChIKeyBMVRUXXOBHMJIC-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.00
Rot. Bonds6

About methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 3694555) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID3694555
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Namemethyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESC=CCOc1ccc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC
InChIInChI=1S/C25H23NO5/c1-5-12-31-18-11-10-15(13-19(18)29-3)21-20(25(28)30-4)14(2)26-23-16-8-6-7-9-17(16)24(27)22(21)23/h5-11,13,21,26H,1,12H2,2-4H3
InChIKeyBMVRUXXOBHMJIC-UHFFFAOYSA-N
XLogP4.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3748676
SJ000025081
CID 3132463
Ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
CID 622700
9-[4-(benzyloxy)-3-ethoxyphenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 1022997
ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 647127
10-(4-ethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 2913727
butan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3141207
Propyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3141210
10-(3-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3149271
Ethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2829359
5-hydroxy-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-indeno[1,2-b]pyridine-3-carbonitrile
CID 660965
2-Methoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2854500

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 3694555) is methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is C=CCOc1ccc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC.
What is the InChIKey of methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is BMVRUXXOBHMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-5-12-31-18-11-10-15(13-19(18)29-3)21-20(25(28)30-4)14(2)26-23-16-8-6-7-9-17(16)24(27)22(21)23/h5-11,13,21,26H,1,12H2,2-4H3.
What are the key properties of methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 417.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 3694555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).