ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate

C18H16N2O6 — CID 66649868

IUPACethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)c(O)ccc2[nH]1
InChIInChI=1S/C18H16N2O6/c1-2-26-18(25)20-12-7-9(21)3-4-10(12)13-8-15(23)16-11(19-13)5-6-14(22)17(16)24/h3-8,21-22,24H,2H2,1H3,(H,19,23)(H,20,25)
InChIKeyKPAVSSUPPVERQD-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.88
Rot. Bonds3

About ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate

ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate (PubChem CID 66649868) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
PubChem CID66649868
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Nameethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)c(O)ccc2[nH]1
InChIInChI=1S/C18H16N2O6/c1-2-26-18(25)20-12-7-9(21)3-4-10(12)13-8-15(23)16-11(19-13)5-6-14(22)17(16)24/h3-8,21-22,24H,2H2,1H3,(H,19,23)(H,20,25)
InChIKeyKPAVSSUPPVERQD-UHFFFAOYSA-N
XLogP2.88
TPSA131.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66649980
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66650249
ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123152524
[4-(5,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506816
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
[4-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506652
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
CID 11770383
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123863775
2-[2-(ethoxycarbonylamino)-4-hydroxyphenyl]-7-fluoro-4-oxoquinoline-1-carboxylic acid
CID 143220012
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The IUPAC name of ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate (CID 66649868) is ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The canonical SMILES for ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate is CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)c(O)ccc2[nH]1.
What is the InChIKey of ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The InChIKey is KPAVSSUPPVERQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-2-26-18(25)20-12-7-9(21)3-4-10(12)13-8-15(23)16-11(19-13)5-6-14(22)17(16)24/h3-8,21-22,24H,2H2,1H3,(H,19,23)(H,20,25).
What are the key properties of ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate has a molecular weight of 356.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate is sourced from PubChem (CID 66649868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).