(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid

C21H17FN2O4 — CID 124610758

IUPAC(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CCO1
InChIInChI=1S/C21H17FN2O4/c22-14-6-7-15-16(20(25)24-8-9-28-19(12-24)21(26)27)11-17(23-18(15)10-14)13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12H2,(H,26,27)/t19-/m0/s1
InChIKeyRZJPYJQNPCVHPT-IBGZPJMESA-N
MW380.38 g/mol
LogP2.97
Rot. Bonds3

About (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124610758) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID124610758
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CCO1
InChIInChI=1S/C21H17FN2O4/c22-14-6-7-15-16(20(25)24-8-9-28-19(12-24)21(26)27)11-17(23-18(15)10-14)13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12H2,(H,26,27)/t19-/m0/s1
InChIKeyRZJPYJQNPCVHPT-IBGZPJMESA-N
XLogP2.97
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
CID 120655430
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
(8aS)-7-[2-(4-fluorophenyl)quinoline-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126452583
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 125118691
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid (CID 124610758) is (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CCO1.
What is the InChIKey of (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is RZJPYJQNPCVHPT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-14-6-7-15-16(20(25)24-8-9-28-19(12-24)21(26)27)11-17(23-18(15)10-14)13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12H2,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 380.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124610758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).