2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid

C20H17ClN2O3 — CID 56875818

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c21-14-7-5-13(6-8-14)18-12-23(9-10-26-18)19-11-16(20(24)25)15-3-1-2-4-17(15)22-19/h1-8,11,18H,9-10,12H2,(H,24,25)
InChIKeyRVZQXHMAPCVPBS-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.16
Rot. Bonds3

About 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid

2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid (PubChem CID 56875818) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
PubChem CID56875818
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c21-14-7-5-13(6-8-14)18-12-23(9-10-26-18)19-11-16(20(24)25)15-3-1-2-4-17(15)22-19/h1-8,11,18H,9-10,12H2,(H,24,25)
InChIKeyRVZQXHMAPCVPBS-UHFFFAOYSA-N
XLogP4.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-thiophen-3-ylmorpholin-4-yl]quinoline-4-carboxamide
CID 97224305
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56868455
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 95539381
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid (CID 56875818) is 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid is O=C(O)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The InChIKey is RVZQXHMAPCVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-14-7-5-13(6-8-14)18-12-23(9-10-26-18)19-11-16(20(24)25)15-3-1-2-4-17(15)22-19/h1-8,11,18H,9-10,12H2,(H,24,25).
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid?
2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid has a molecular weight of 368.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 56875818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).