1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C28H33N3O5 — CID 67874023

IUPAC1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCC(OC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C28H33N3O5/c1-8-22(35-25(33)28(6,7)30-26(34)36-27(3,4)5)19-14-21-23-18(15-31(21)24(32)16(19)2)13-17-11-9-10-12-20(17)29-23/h9-14,22H,8,15H2,1-7H3,(H,30,34)
InChIKeyWXPQWCPFMSKAQY-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.03
Rot. Bonds5

About 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 67874023) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID67874023
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCC(OC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C28H33N3O5/c1-8-22(35-25(33)28(6,7)30-26(34)36-27(3,4)5)19-14-21-23-18(15-31(21)24(32)16(19)2)13-17-11-9-10-12-20(17)29-23/h9-14,22H,8,15H2,1-7H3,(H,30,34)
InChIKeyWXPQWCPFMSKAQY-UHFFFAOYSA-N
XLogP5.03
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
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 67874035
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-imidazol-1-ylacetate;hydrochloride
CID 86753926
[(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
ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;methylsulfanylmethane
CID 163385164
1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
CID 54288547
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
[(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-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58960529
5-O-tert-butyl 1-O-[(19S)-19-ethyl-14,18-dioxo-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] pentanedioate
CID 158482655
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 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) is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCC(OC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.
What is the InChIKey of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is WXPQWCPFMSKAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-8-22(35-25(33)28(6,7)30-26(34)36-27(3,4)5)19-14-21-23-18(15-31(21)24(32)16(19)2)13-17-11-9-10-12-20(17)29-23/h9-14,22H,8,15H2,1-7H3,(H,30,34).
What are the key properties of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 491.59 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 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-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 67874023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).