tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate

C18H23FN2O4 — CID 155339185

IUPACtert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C/F)C(O)c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C18H23FN2O4/c1-18(2,3)25-17(24)20-10-13(9-19)16(23)12-5-4-11-6-7-15(22)21-14(11)8-12/h4-5,8-9,16,23H,6-7,10H2,1-3H3,(H,20,24)(H,21,22)/b13-9-
InChIKeyRGMVSDGUGQKVBN-LCYFTJDESA-N
MW350.39 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate

tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate (PubChem CID 155339185) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate
PubChem CID155339185
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Nametert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C/F)C(O)c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C18H23FN2O4/c1-18(2,3)25-17(24)20-10-13(9-19)16(23)12-5-4-11-6-7-15(22)21-14(11)8-12/h4-5,8-9,16,23H,6-7,10H2,1-3H3,(H,20,24)(H,21,22)/b13-9-
InChIKeyRGMVSDGUGQKVBN-LCYFTJDESA-N
XLogP2.98
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4,5,6-tetrahydro-1H-1-benzazocin-8-yl)methyl]prop-2-enyl]carbamate
CID 175398834
tert-butyl N-[(E)-3-fluoro-2-[hydroxy-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]prop-2-enyl]carbamate
CID 175089136
tert-butyl N-[3-fluoro-2-[hydroxy-(4-oxo-3H-quinazolin-6-yl)methyl]prop-2-enyl]carbamate
CID 175408459
tert-butyl N-[3-fluoro-2-[hydroxy(pyrido[1,2-a]benzimidazol-8-yl)methyl]prop-2-enyl]carbamate
CID 175408490
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid
CID 175398867
tert-butyl N-[(2Z)-2-(fluoromethylidene)-3-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]carbamate
CID 66982753
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanamide
CID 114939986
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
tert-butyl N-[2-(chloromethylidene)-3-(4-chlorophenyl)butyl]carbamate
CID 173036156

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate (CID 155339185) is tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(=C/F)C(O)c1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate?
The InChIKey is RGMVSDGUGQKVBN-LCYFTJDESA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-18(2,3)25-17(24)20-10-13(9-19)16(23)12-5-4-11-6-7-15(22)21-14(11)8-12/h4-5,8-9,16,23H,6-7,10H2,1-3H3,(H,20,24)(H,21,22)/b13-9-.
What are the key properties of tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate?
tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate has a molecular weight of 350.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-3-fluoro-2-[hydroxy-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]prop-2-enyl]carbamate is sourced from PubChem (CID 155339185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).