1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride

C24H23ClN4O3 — CID 86753926

IUPAC1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride
SMILESCCC(OC(=O)Cn1ccnc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.Cl
InChIInChI=1S/C24H22N4O3.ClH/c1-3-21(31-22(29)13-27-9-8-25-14-27)18-11-20-23-17(12-28(20)24(30)15(18)2)10-16-6-4-5-7-19(16)26-23;/h4-11,14,21H,3,12-13H2,1-2H3;1H
InChIKeyNHDOFAAPBRLJHW-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.05
Rot. Bonds5

About 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride

1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride (PubChem CID 86753926) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride.

Molecular Properties

Compound Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride
PubChem CID86753926
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride
SMILESCCC(OC(=O)Cn1ccnc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.Cl
InChIInChI=1S/C24H22N4O3.ClH/c1-3-21(31-22(29)13-27-9-8-25-14-27)18-11-20-23-17(12-28(20)24(30)15(18)2)10-16-6-4-5-7-19(16)26-23;/h4-11,14,21H,3,12-13H2,1-2H3;1H
InChIKeyNHDOFAAPBRLJHW-UHFFFAOYSA-N
XLogP4.05
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride with MolForge

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Related Compounds

1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 67874022
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
CID 54178196
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67874023
[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 21308396
1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
CID 54288547
[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67874038
8-methyl-7-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-11H-indolizino[1,2-b]quinolin-9-one
CID 10009187
CID 169426811
CID 169426811
methyl 3-(2,3-difluoro-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)-3-methoxypropanoate
CID 142958645
1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate
CID 10872340
8-(hydroxymethyl)-7-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-11H-indolizino[1,2-b]quinolin-9-one
CID 10051016
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride?
The IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride (CID 86753926) is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride.
What is the SMILES notation for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride?
The canonical SMILES for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride is CCC(OC(=O)Cn1ccnc1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.Cl.
What is the InChIKey of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride?
The InChIKey is NHDOFAAPBRLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3.ClH/c1-3-21(31-22(29)13-27-9-8-25-14-27)18-11-20-23-17(12-28(20)24(30)15(18)2)10-16-6-4-5-7-19(16)26-23;/h4-11,14,21H,3,12-13H2,1-2H3;1H.
What are the key properties of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride?
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride has a molecular weight of 450.93 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride is sourced from PubChem (CID 86753926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).