2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine

C20H18Cl2N2O — CID 56868827

IUPAC2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
SMILESClc1ccc(C2CN(Cc3cccc4ncccc34)CCO2)cc1Cl
InChIInChI=1S/C20H18Cl2N2O/c21-17-7-6-14(11-18(17)22)20-13-24(9-10-25-20)12-15-3-1-5-19-16(15)4-2-8-23-19/h1-8,11,20H,9-10,12-13H2
InChIKeyUOXMZYHARNBVFW-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.12
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine

2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine (PubChem CID 56868827) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
PubChem CID56868827
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC Name2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
SMILESClc1ccc(C2CN(Cc3cccc4ncccc34)CCO2)cc1Cl
InChIInChI=1S/C20H18Cl2N2O/c21-17-7-6-14(11-18(17)22)20-13-24(9-10-25-20)12-15-3-1-5-19-16(15)4-2-8-23-19/h1-8,11,20H,9-10,12-13H2
InChIKeyUOXMZYHARNBVFW-UHFFFAOYSA-N
XLogP5.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
CID 95402420
N-pyrimidin-2-yl-6-[(2R)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996475
N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996474
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
CID 127251047
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
CID 86884183
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249866
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine (CID 56868827) is 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine is Clc1ccc(C2CN(Cc3cccc4ncccc34)CCO2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine?
The InChIKey is UOXMZYHARNBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c21-17-7-6-14(11-18(17)22)20-13-24(9-10-25-20)12-15-3-1-5-19-16(15)4-2-8-23-19/h1-8,11,20H,9-10,12-13H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine?
2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine has a molecular weight of 373.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine is sourced from PubChem (CID 56868827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).