2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one

C22H20N2O2 — CID 162082099

IUPAC2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one
SMILESCCc1cc(=O)c2cc(C(=O)c3c(C)cc4ccccn34)ccc2n1C
InChIInChI=1S/C22H20N2O2/c1-4-16-13-20(25)18-12-15(8-9-19(18)23(16)3)22(26)21-14(2)11-17-7-5-6-10-24(17)21/h5-13H,4H2,1-3H3
InChIKeyZCLZXPHTEJIRSO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.89
Rot. Bonds3

About 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one

2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one (PubChem CID 162082099) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one
PubChem CID162082099
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one
SMILESCCc1cc(=O)c2cc(C(=O)c3c(C)cc4ccccn34)ccc2n1C
InChIInChI=1S/C22H20N2O2/c1-4-16-13-20(25)18-12-15(8-9-19(18)23(16)3)22(26)21-14(2)11-17-7-5-6-10-24(17)21/h5-13H,4H2,1-3H3
InChIKeyZCLZXPHTEJIRSO-UHFFFAOYSA-N
XLogP3.89
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-methylquinolin-4-one
CID 15733010
(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
CID 2326958
6-(1-methoxy-2-methylindolizine-3-carbonyl)-1-methylquinolin-4-one
CID 141434341
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone
CID 2326626
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one
CID 141372884
(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone
CID 13400143
N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide
CID 118344225
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one?
The IUPAC name of 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one (CID 162082099) is 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one.
What is the SMILES notation for 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one?
The canonical SMILES for 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one is CCc1cc(=O)c2cc(C(=O)c3c(C)cc4ccccn34)ccc2n1C.
What is the InChIKey of 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one?
The InChIKey is ZCLZXPHTEJIRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-4-16-13-20(25)18-12-15(8-9-19(18)23(16)3)22(26)21-14(2)11-17-7-5-6-10-24(17)21/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one?
2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-6-(2-methylindolizine-3-carbonyl)quinolin-4-one is sourced from PubChem (CID 162082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).