[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid

C14H14F2N2O4 — CID 175398867

IUPAC[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)C(O)c1cc(F)c2c(c1)CCC(=O)N2
InChIInChI=1S/C14H14F2N2O4/c15-5-9(6-17-14(21)22)13(20)8-3-7-1-2-11(19)18-12(7)10(16)4-8/h3-5,13,17,20H,1-2,6H2,(H,18,19)(H,21,22)/b9-5-
InChIKeyKFIAKYYKHAGFAN-UITAMQMPSA-N
MW312.27 g/mol
LogP1.86
Rot. Bonds4

About [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid

[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid (PubChem CID 175398867) has the molecular formula C14H14F2N2O4 and a molecular weight of 312.27 g/mol. Its IUPAC name is [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid
PubChem CID175398867
Molecular FormulaC14H14F2N2O4
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)C(O)c1cc(F)c2c(c1)CCC(=O)N2
InChIInChI=1S/C14H14F2N2O4/c15-5-9(6-17-14(21)22)13(20)8-3-7-1-2-11(19)18-12(7)10(16)4-8/h3-5,13,17,20H,1-2,6H2,(H,18,19)(H,21,22)/b9-5-
InChIKeyKFIAKYYKHAGFAN-UITAMQMPSA-N
XLogP1.86
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid?
The IUPAC name of [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid (CID 175398867) is [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid is O=C(O)NC/C(=C/F)C(O)c1cc(F)c2c(c1)CCC(=O)N2.
What is the InChIKey of [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid?
The InChIKey is KFIAKYYKHAGFAN-UITAMQMPSA-N. The full InChI is InChI=1S/C14H14F2N2O4/c15-5-9(6-17-14(21)22)13(20)8-3-7-1-2-11(19)18-12(7)10(16)4-8/h3-5,13,17,20H,1-2,6H2,(H,18,19)(H,21,22)/b9-5-.
What are the key properties of [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid?
[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid has a molecular weight of 312.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 175398867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).