(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H22N2O4 — CID 51934372

IUPAC(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c2ccccc2N1
InChIInChI=1S/C21H22N2O4/c24-20-12-18(17-8-1-2-9-19(17)23-20)21(25)22-14-5-3-6-15(11-14)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,18H,4,7,10,12-13H2,(H,22,25)(H,23,24)/t16-,18+/m0/s1
InChIKeyWANIEHXXKQZVTK-FUHWJXTLSA-N
MW366.42 g/mol
LogP3.31
Rot. Bonds5

About (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 51934372) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID51934372
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c2ccccc2N1
InChIInChI=1S/C21H22N2O4/c24-20-12-18(17-8-1-2-9-19(17)23-20)21(25)22-14-5-3-6-15(11-14)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,18H,4,7,10,12-13H2,(H,22,25)(H,23,24)/t16-,18+/m0/s1
InChIKeyWANIEHXXKQZVTK-FUHWJXTLSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51934373
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46802994
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119713684
1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 60568694
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 51934372) is (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c2ccccc2N1.
What is the InChIKey of (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WANIEHXXKQZVTK-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-20-12-18(17-8-1-2-9-19(17)23-20)21(25)22-14-5-3-6-15(11-14)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,18H,4,7,10,12-13H2,(H,22,25)(H,23,24)/t16-,18+/m0/s1.
What are the key properties of (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51934372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).