ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

C19H19FN2O3 — CID 95123061

IUPACethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-3-25-19(24)21-13-6-7-14-15(10-18(23)22-17(14)9-13)12-5-4-11(2)16(20)8-12/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyFOABOTLQKBUHEG-OAHLLOKOSA-N
MW342.37 g/mol
LogP4.18
Rot. Bonds3

About ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (PubChem CID 95123061) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
PubChem CID95123061
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Nameethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-3-25-19(24)21-13-6-7-14-15(10-18(23)22-17(14)9-13)12-5-4-11(2)16(20)8-12/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyFOABOTLQKBUHEG-OAHLLOKOSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate with MolForge

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Related Compounds

methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 170512777
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95128759
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
ethyl (4S)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488631
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
ethyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931614
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95132831

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The IUPAC name of ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (CID 95123061) is ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The canonical SMILES for ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C)c(F)c1.
What is the InChIKey of ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The InChIKey is FOABOTLQKBUHEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-25-19(24)21-13-6-7-14-15(10-18(23)22-17(14)9-13)12-5-4-11(2)16(20)8-12/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23)/t15-/m1/s1.
What are the key properties of ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate has a molecular weight of 342.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 95123061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).