2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde

C26H30N2O5 — CID 177177505

IUPAC2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde
SMILESCCc1c2c(nc3ccc(OCC(C)C)cc13)-c1cc(C(C=O)OC)c(COC)c(=O)n1C2
InChIInChI=1S/C26H30N2O5/c1-6-17-18-9-16(33-13-15(2)3)7-8-22(18)27-25-20(17)11-28-23(25)10-19(24(12-29)32-5)21(14-31-4)26(28)30/h7-10,12,15,24H,6,11,13-14H2,1-5H3
InChIKeyBAZBOEAHKWAUFD-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.06
Rot. Bonds9

About 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde

2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde (PubChem CID 177177505) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde
PubChem CID177177505
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde
SMILESCCc1c2c(nc3ccc(OCC(C)C)cc13)-c1cc(C(C=O)OC)c(COC)c(=O)n1C2
InChIInChI=1S/C26H30N2O5/c1-6-17-18-9-16(33-13-15(2)3)7-8-22(18)27-25-20(17)11-28-23(25)10-19(24(12-29)32-5)21(14-31-4)26(28)30/h7-10,12,15,24H,6,11,13-14H2,1-5H3
InChIKeyBAZBOEAHKWAUFD-UHFFFAOYSA-N
XLogP4.06
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
CID 165146250
2-[2-(5-amino-4,4-dimethylpentoxy)-12-ethyl-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
CID 163276439
12-ethyl-2-methoxy-8-(methoxymethyl)-7-propyl-11H-indolizino[1,2-b]quinolin-9-one
CID 165146233
2-[3-fluoro-8-(methoxymethyl)-12-[(methylsulfanylamino)methyl]-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde
CID 171520937
[12-ethyl-2-hydroxy-7-(1-hydroxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
CID 153350098
2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide
CID 168986491
N-[[12-ethyl-8-(methoxymethyl)-7-(2-methyl-1-oxobutan-2-yl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl]oxymethyl]formamide;4-(2-methylpropanimidoyl)phenol
CID 163276435
ethane;7-ethoxy-10-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 178093851
(12-ethyl-2-hydroxy-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl (2R)-2-methoxypropanoate
CID 71032210
2-[12-(aminomethyl)-1-ethyl-3-fluoro-8-(methoxymethyl)-2-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxyacetaldehyde
CID 165141197
2-[2-[2-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methoxyquinazolin-4-yl]piperazine-1-carbonyl]prop-2-enoxy]-12-ethyl-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxyacetaldehyde
CID 178153291
2-[(10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxy]acetohydrazide;ethane;methanol
CID 163276336

Frequently Asked Questions

What is the IUPAC name of 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde?
The IUPAC name of 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde (CID 177177505) is 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde.
What is the SMILES notation for 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde?
The canonical SMILES for 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde is CCc1c2c(nc3ccc(OCC(C)C)cc13)-c1cc(C(C=O)OC)c(COC)c(=O)n1C2.
What is the InChIKey of 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde?
The InChIKey is BAZBOEAHKWAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-6-17-18-9-16(33-13-15(2)3)7-8-22(18)27-25-20(17)11-28-23(25)10-19(24(12-29)32-5)21(14-31-4)26(28)30/h7-10,12,15,24H,6,11,13-14H2,1-5H3.
What are the key properties of 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde?
2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde has a molecular weight of 450.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde is sourced from PubChem (CID 177177505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).