2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid

C16H18N2O5 — CID 125119321

IUPAC2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1
InChIInChI=1S/C16H18N2O5/c19-14-8-12(11-3-1-2-4-13(11)17-14)16(22)18-5-6-23-10(9-18)7-15(20)21/h1-4,10,12H,5-9H2,(H,17,19)(H,20,21)/t10-,12-/m1/s1
InChIKeyVFMSYQMBVWOMIW-ZYHUDNBSSA-N
MW318.33 g/mol
LogP0.81
Rot. Bonds3

About 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125119321) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125119321
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1
InChIInChI=1S/C16H18N2O5/c19-14-8-12(11-3-1-2-4-13(11)17-14)16(22)18-5-6-23-10(9-18)7-15(20)21/h1-4,10,12H,5-9H2,(H,17,19)(H,20,21)/t10-,12-/m1/s1
InChIKeyVFMSYQMBVWOMIW-ZYHUDNBSSA-N
XLogP0.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133990
4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 71915920
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111561306
(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96511621
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146
(4S)-4-[(3S)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582825
4-(3-ethoxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 56819858
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
2-[(2R)-4-[(1S)-3,4-dihydro-1H-isothiochromene-1-carbonyl]morpholin-2-yl]acetic acid
CID 125153005

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid (CID 125119321) is 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1.
What is the InChIKey of 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VFMSYQMBVWOMIW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14-8-12(11-3-1-2-4-13(11)17-14)16(22)18-5-6-23-10(9-18)7-15(20)21/h1-4,10,12H,5-9H2,(H,17,19)(H,20,21)/t10-,12-/m1/s1.
What are the key properties of 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).