N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H19FN2O3 — CID 96522518

IUPACN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H19FN2O3/c19-14-7-3-2-6-12(14)16(22)10-20-17(23)13-9-11-5-1-4-8-15(11)21-18(13)24/h2-3,6-7,9,16,22H,1,4-5,8,10H2,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyFBJMGLUFANBFHF-MRXNPFEDSA-N
MW330.36 g/mol
LogP1.86
Rot. Bonds4

About N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 96522518) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID96522518
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H19FN2O3/c19-14-7-3-2-6-12(14)16(22)10-20-17(23)13-9-11-5-1-4-8-15(11)21-18(13)24/h2-3,6-7,9,16,22H,1,4-5,8,10H2,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyFBJMGLUFANBFHF-MRXNPFEDSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126780932
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 111566093
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849
2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 120810687
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 96522518) is N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NC[C@@H](O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is FBJMGLUFANBFHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-14-7-3-2-6-12(14)16(22)10-20-17(23)13-9-11-5-1-4-8-15(11)21-18(13)24/h2-3,6-7,9,16,22H,1,4-5,8,10H2,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 96522518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).