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

C24H26N2O4 — CID 165146250

IUPAC2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
SMILESCCc1c2c(nc3ccc(OC)cc13)-c1cc(C(C=O)CC)c(COC)c(=O)n1C2
InChIInChI=1S/C24H26N2O4/c1-5-14(12-27)17-10-22-23-19(11-26(22)24(28)20(17)13-29-3)16(6-2)18-9-15(30-4)7-8-21(18)25-23/h7-10,12,14H,5-6,11,13H2,1-4H3
InChIKeyXMOCZFSPJMIAKS-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.84
Rot. Bonds7

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

2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal (PubChem CID 165146250) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal.

Molecular Properties

Compound Name2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
PubChem CID165146250
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
SMILESCCc1c2c(nc3ccc(OC)cc13)-c1cc(C(C=O)CC)c(COC)c(=O)n1C2
InChIInChI=1S/C24H26N2O4/c1-5-14(12-27)17-10-22-23-19(11-26(22)24(28)20(17)13-29-3)16(6-2)18-9-15(30-4)7-8-21(18)25-23/h7-10,12,14H,5-6,11,13H2,1-4H3
InChIKeyXMOCZFSPJMIAKS-UHFFFAOYSA-N
XLogP3.84
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[12-ethyl-8-(methoxymethyl)-2-(2-methylpropoxy)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-methoxyacetaldehyde
CID 177177505
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
[12-ethyl-2-hydroxy-7-(1-hydroxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
CID 153350098
2-[2,3-bis(ethenyl)-8-(methoxymethyl)-7-oxo-5H-pyrido[2,3-a]indolizin-9-yl]butanal
CID 178136482
(19S)-10,19-diethyl-19-hydroxy-7-methoxy-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 11133259
12-ethyl-8-(methoxymethyl)-7-(1-methoxy-2-methylbutan-2-yl)-11H-indolizino[1,2-b]quinolin-9-one
CID 155108656
(19S)-10,19-diethyl-7-methoxy-19-sulfanyloxy-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 59882187
10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one
CID 56966118
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
N-[14-fluoro-6-(methoxymethyl)-15-methyl-5-oxo-7-(1-oxobutan-2-yl)-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-19-yl]-2-phenylacetamide
CID 177137074

Frequently Asked Questions

What is the IUPAC name of 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal?
The IUPAC name of 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal (CID 165146250) is 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal.
What is the SMILES notation for 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal?
The canonical SMILES for 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal is CCc1c2c(nc3ccc(OC)cc13)-c1cc(C(C=O)CC)c(COC)c(=O)n1C2.
What is the InChIKey of 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal?
The InChIKey is XMOCZFSPJMIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-14(12-27)17-10-22-23-19(11-26(22)24(28)20(17)13-29-3)16(6-2)18-9-15(30-4)7-8-21(18)25-23/h7-10,12,14H,5-6,11,13H2,1-4H3.
What are the key properties of 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal?
2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal has a molecular weight of 406.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal is sourced from PubChem (CID 165146250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).