1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate

C19H18N2O4S — CID 10872340

IUPAC1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate
SMILESCCC(OS(C)(=O)=O)c1cc2n(c(=O)c1)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C19H18N2O4S/c1-3-17(25-26(2,23)24)13-9-16-19-14(11-21(16)18(22)10-13)8-12-6-4-5-7-15(12)20-19/h4-10,17H,3,11H2,1-2H3
InChIKeyVVFFFTSVFBIASQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.85
Rot. Bonds4

About 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate

1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate (PubChem CID 10872340) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate.

Molecular Properties

Compound Name1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate
PubChem CID10872340
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate
SMILESCCC(OS(C)(=O)=O)c1cc2n(c(=O)c1)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C19H18N2O4S/c1-3-17(25-26(2,23)24)13-9-16-19-14(11-21(16)18(22)10-13)8-12-6-4-5-7-15(12)20-19/h4-10,17H,3,11H2,1-2H3
InChIKeyVVFFFTSVFBIASQ-UHFFFAOYSA-N
XLogP2.85
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119
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
CID 169426811
CID 169426811
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
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride
CID 86753926
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160
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
[(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] (2R)-2-methylbutanoate
CID 71197661
2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
CID 178167118
(18S,19S)-18-butan-2-yloxy-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)-heptaen-14-one
CID 70693370
(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) (2S)-2-aminopropanoate
CID 174382040

Frequently Asked Questions

What is the IUPAC name of 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate?
The IUPAC name of 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate (CID 10872340) is 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate.
What is the SMILES notation for 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate?
The canonical SMILES for 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate is CCC(OS(C)(=O)=O)c1cc2n(c(=O)c1)Cc1cc3ccccc3nc1-2.
What is the InChIKey of 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate?
The InChIKey is VVFFFTSVFBIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-17(25-26(2,23)24)13-9-16-19-14(11-21(16)18(22)10-13)8-12-6-4-5-7-15(12)20-19/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate?
1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate has a molecular weight of 370.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate is sourced from PubChem (CID 10872340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).