4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid

C21H18N2O4 — CID 119358047

IUPAC4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CCO1
InChIInChI=1S/C21H18N2O4/c24-20(23-10-11-27-19(13-23)21(25)26)16-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-15(16)17/h1-9,12,19H,10-11,13H2,(H,25,26)
InChIKeyLQRWIHVELUZYMC-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.83
Rot. Bonds3

About 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid

4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119358047) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID119358047
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CCO1
InChIInChI=1S/C21H18N2O4/c24-20(23-10-11-27-19(13-23)21(25)26)16-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-15(16)17/h1-9,12,19H,10-11,13H2,(H,25,26)
InChIKeyLQRWIHVELUZYMC-UHFFFAOYSA-N
XLogP2.83
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 124610758
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-2-(5-methylfuran-2-yl)morpholin-4-yl]methanone
CID 97071310
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid (CID 119358047) is 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CCO1.
What is the InChIKey of 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is LQRWIHVELUZYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(23-10-11-27-19(13-23)21(25)26)16-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-15(16)17/h1-9,12,19H,10-11,13H2,(H,25,26).
What are the key properties of 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid?
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).