ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate

C18H16N2O5 — CID 123152524

IUPACethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2cc(O)c(O)cc2[nH]1
InChIInChI=1S/C18H16N2O5/c1-2-25-18(24)20-12-6-4-3-5-10(12)13-8-15(21)11-7-16(22)17(23)9-14(11)19-13/h3-9,22-23H,2H2,1H3,(H,19,21)(H,20,24)
InChIKeyLSJPNQGOUYBKRS-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.17
Rot. Bonds3

About ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate

ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate (PubChem CID 123152524) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
PubChem CID123152524
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Nameethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2cc(O)c(O)cc2[nH]1
InChIInChI=1S/C18H16N2O5/c1-2-25-18(24)20-12-6-4-3-5-10(12)13-8-15(21)11-7-16(22)17(23)9-14(11)19-13/h3-9,22-23H,2H2,1H3,(H,19,21)(H,20,24)
InChIKeyLSJPNQGOUYBKRS-UHFFFAOYSA-N
XLogP3.17
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(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
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123863775
ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66649980
ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66649868
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66650249
2,7-bis(2-propanoylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781794
2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781798
ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123162805
ethyl N-[2-(2,8-dioxo-1H-pyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123954199
[4-(5,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506816
ethyl N-[2-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl]carbamate
CID 123159842

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate (CID 123152524) is ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccccc1-c1cc(=O)c2cc(O)c(O)cc2[nH]1.
What is the InChIKey of ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The InChIKey is LSJPNQGOUYBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-2-25-18(24)20-12-6-4-3-5-10(12)13-8-15(21)11-7-16(22)17(23)9-14(11)19-13/h3-9,22-23H,2H2,1H3,(H,19,21)(H,20,24).
What are the key properties of ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate has a molecular weight of 340.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate is sourced from PubChem (CID 123152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).