[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C20H17ClN2O2 — CID 1261463

IUPAC[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17ClN2O2/c21-15-5-3-4-14(12-15)19-13-17(16-6-1-2-7-18(16)22-19)20(24)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2
InChIKeyYNZLWEDLRYIKQI-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.03
Rot. Bonds2

About [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1261463) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID1261463
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17ClN2O2/c21-15-5-3-4-14(12-15)19-13-17(16-6-1-2-7-18(16)22-19)20(24)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2
InChIKeyYNZLWEDLRYIKQI-UHFFFAOYSA-N
XLogP4.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
1-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;oxane;2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid
CID 157235654
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
CID 162644548
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 1261463) is [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YNZLWEDLRYIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-15-5-3-4-14(12-15)19-13-17(16-6-1-2-7-18(16)22-19)20(24)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2.
What are the key properties of [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 352.82 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1261463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).