(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid

C15H16N2O5 — CID 125133531

IUPAC(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
SMILESO=C1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C15H16N2O5/c18-13-4-2-9-7-10(1-3-11(9)16-13)14(19)17-5-6-22-8-12(17)15(20)21/h1,3,7,12H,2,4-6,8H2,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeySXWMDNKFFCWULZ-LBPRGKRZSA-N
MW304.30 g/mol
LogP0.50
Rot. Bonds2

About (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125133531) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
PubChem CID125133531
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
SMILESO=C1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C15H16N2O5/c18-13-4-2-9-7-10(1-3-11(9)16-13)14(19)17-5-6-22-8-12(17)15(20)21/h1,3,7,12H,2,4-6,8H2,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeySXWMDNKFFCWULZ-LBPRGKRZSA-N
XLogP0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 102712814
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 86794079
4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid
CID 154740273
2-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195952
(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
CID 125133422
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125133029
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid (CID 125133531) is (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid is O=C1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc2N1.
What is the InChIKey of (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is SXWMDNKFFCWULZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-13-4-2-9-7-10(1-3-11(9)16-13)14(19)17-5-6-22-8-12(17)15(20)21/h1,3,7,12H,2,4-6,8H2,(H,16,18)(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125133531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).