[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate

C19H16N2O5 — CID 146416809

IUPAC[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
SMILESC[C@@H](O)c1cc2n(c(=O)c1COC=O)Cc1cc3cc(O)ccc3nc1-2
InChIInChI=1S/C19H16N2O5/c1-10(23)14-6-17-18-12(4-11-5-13(24)2-3-16(11)20-18)7-21(17)19(25)15(14)8-26-9-22/h2-6,9-10,23-24H,7-8H2,1H3/t10-/m1/s1
InChIKeyDCAGEUDXCLTPDM-SNVBAGLBSA-N
MW352.35 g/mol
LogP1.86
Rot. Bonds4

About [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate

[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate (PubChem CID 146416809) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate.

Molecular Properties

Compound Name[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
PubChem CID146416809
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
SMILESC[C@@H](O)c1cc2n(c(=O)c1COC=O)Cc1cc3cc(O)ccc3nc1-2
InChIInChI=1S/C19H16N2O5/c1-10(23)14-6-17-18-12(4-11-5-13(24)2-3-16(11)20-18)7-21(17)19(25)15(14)8-26-9-22/h2-6,9-10,23-24H,7-8H2,1H3/t10-/m1/s1
InChIKeyDCAGEUDXCLTPDM-SNVBAGLBSA-N
XLogP1.86
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-2-[2-hydroxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]acetaldehyde
CID 145495911
[12-ethyl-2-hydroxy-7-(1-hydroxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate
CID 153350098
[2-hydroxy-7-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl butanoate
CID 143485015
[2-amino-12-(aminomethyl)-3-fluoro-7-(1-hydroxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate;ethane
CID 171520892
ethane;[14-fluoro-7-(1-hydroxyethyl)-15-methyl-5-oxo-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-6-yl]methyl formate;2-sulfanylacetamide
CID 171831186
disodium;2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate
CID 53463210
5-ethyl-5,16-dihydroxy-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),13,15,17,19-heptaene-6,9-dione
CID 10450406
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
(19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-aminopropanoate
CID 123382119
[14-fluoro-7-(1-hydroxyethyl)-19-(3-hydroxy-2-oxopyrrolidin-1-yl)-15-methyl-5-oxo-17-thia-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-6-yl]methyl formate
CID 170342725
ethane;[14-fluoro-7-(1-hydroxyethyl)-15-methyl-5-oxo-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-6-yl]methyl formate;5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
CID 166119697
19-ethyl-7-hydroxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 143485013

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate?
The IUPAC name of [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate (CID 146416809) is [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate.
What is the SMILES notation for [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate?
The canonical SMILES for [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate is C[C@@H](O)c1cc2n(c(=O)c1COC=O)Cc1cc3cc(O)ccc3nc1-2.
What is the InChIKey of [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate?
The InChIKey is DCAGEUDXCLTPDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-10(23)14-6-17-18-12(4-11-5-13(24)2-3-16(11)20-18)7-21(17)19(25)15(14)8-26-9-22/h2-6,9-10,23-24H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate?
[2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate has a molecular weight of 352.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-7-[(1R)-1-hydroxyethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl formate is sourced from PubChem (CID 146416809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).