7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one

C27H24N2O4 — CID 54270726

IUPAC7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one
SMILESCCC1(c2cc3n(c(=O)c2Oc2ccccc2C)Cc2cc4ccccc4nc2-3)OCCO1
InChIInChI=1S/C27H24N2O4/c1-3-27(31-12-13-32-27)20-15-22-24-19(14-18-9-5-6-10-21(18)28-24)16-29(22)26(30)25(20)33-23-11-7-4-8-17(23)2/h4-11,14-15H,3,12-13,16H2,1-2H3
InChIKeyRJXMTZFGVQYGTC-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.14
Rot. Bonds4

About 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one

7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one (PubChem CID 54270726) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one.

Molecular Properties

Compound Name7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one
PubChem CID54270726
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one
SMILESCCC1(c2cc3n(c(=O)c2Oc2ccccc2C)Cc2cc4ccccc4nc2-3)OCCO1
InChIInChI=1S/C27H24N2O4/c1-3-27(31-12-13-32-27)20-15-22-24-19(14-18-9-5-6-10-21(18)28-24)16-29(22)26(30)25(20)33-23-11-7-4-8-17(23)2/h4-11,14-15H,3,12-13,16H2,1-2H3
InChIKeyRJXMTZFGVQYGTC-UHFFFAOYSA-N
XLogP5.14
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23662404
19-[(Z)-but-2-en-2-yl]oxy-19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 155711087
(19S)-19-ethyl-19-hydroxy-3,13,17-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20),16-octaene-14,18-dione
CID 101114625
(18S,19S)-19-ethyl-19-hydroxy-18-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-14-one
CID 70684840
19-aminooxy-19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 15663441
(19S)-19-aminooxy-19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 70322366
(5R)-5-ethyl-7,9-dioxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14,16,18-heptaene-5-carboxamide
CID 44562865
(19S)-19-cyclopropyl-19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 145418842
ethane;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 2,3,4,5,6-pentamethylbenzoate
CID 91274524
ethane;19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;sulfanol
CID 143616490
(19R)-19-ethyl-19-(hydroxymethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 72941830
(18R,19S)-19-ethyl-18,19-dihydroxy-16-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-14-one
CID 71614079

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one?
The IUPAC name of 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one (CID 54270726) is 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one.
What is the SMILES notation for 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one?
The canonical SMILES for 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one is CCC1(c2cc3n(c(=O)c2Oc2ccccc2C)Cc2cc4ccccc4nc2-3)OCCO1.
What is the InChIKey of 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one?
The InChIKey is RJXMTZFGVQYGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-3-27(31-12-13-32-27)20-15-22-24-19(14-18-9-5-6-10-21(18)28-24)16-29(22)26(30)25(20)33-23-11-7-4-8-17(23)2/h4-11,14-15H,3,12-13,16H2,1-2H3.
What are the key properties of 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one?
7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one has a molecular weight of 440.50 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-1,3-dioxolan-2-yl)-8-(2-methylphenoxy)-11H-indolizino[1,2-b]quinolin-9-one is sourced from PubChem (CID 54270726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).