[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone

C20H16Cl2N2O2 — CID 95188416

IUPAC[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H16Cl2N2O2/c21-16-6-5-14(10-17(16)22)19-12-24(8-9-26-19)20(25)15-4-3-13-2-1-7-23-18(13)11-15/h1-7,10-11,19H,8-9,12H2/t19-/m1/s1
InChIKeyDVEDESPLKZUHOM-LJQANCHMSA-N
MW387.27 g/mol
LogP4.76
Rot. Bonds2

About [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone (PubChem CID 95188416) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
PubChem CID95188416
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H16Cl2N2O2/c21-16-6-5-14(10-17(16)22)19-12-24(8-9-26-19)20(25)15-4-3-13-2-1-7-23-18(13)11-15/h1-7,10-11,19H,8-9,12H2/t19-/m1/s1
InChIKeyDVEDESPLKZUHOM-LJQANCHMSA-N
XLogP4.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 155501481
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 134080021
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone?
The IUPAC name of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone (CID 95188416) is [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone.
What is the SMILES notation for [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone?
The canonical SMILES for [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone is O=C(c1ccc2cccnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone?
The InChIKey is DVEDESPLKZUHOM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-16-6-5-14(10-17(16)22)19-12-24(8-9-26-19)20(25)15-4-3-13-2-1-7-23-18(13)11-15/h1-7,10-11,19H,8-9,12H2/t19-/m1/s1.
What are the key properties of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone?
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone has a molecular weight of 387.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone is sourced from PubChem (CID 95188416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).