4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine

C40H37Cl10N5O5 — CID 158012476

IUPAC4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1Cl.ClCCN1CCOCC1.Clc1cc(Cl)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.Oc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C15H15Cl3N2O2.C10H6Cl3NO.C9H4Cl3NO.C6H12ClNO/c16-11-9-13(17)19-15-10(11)1-2-12(14(15)18)22-8-5-20-3-6-21-7-4-20;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;10-5-3-7(11)13-9-4(5)1-2-6(14)8(9)12;7-1-2-8-3-5-9-6-4-8/h1-2,9H,3-8H2;2-4H,1H3;1-3,14H;1-6H2
InChIKeyFFBFIPZQYCQQSY-UHFFFAOYSA-N
MW1022.30 g/mol
LogP12.57
Rot. Bonds7

About 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine

4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine (PubChem CID 158012476) has the molecular formula C40H37Cl10N5O5 and a molecular weight of 1022.30 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine
PubChem CID158012476
Molecular FormulaC40H37Cl10N5O5
Molecular Weight1022.30 g/mol
Exact Mass1016.97
IUPAC Name4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1Cl.ClCCN1CCOCC1.Clc1cc(Cl)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.Oc1ccc2c(Cl)cc(Cl)nc2c1Cl
InChIInChI=1S/C15H15Cl3N2O2.C10H6Cl3NO.C9H4Cl3NO.C6H12ClNO/c16-11-9-13(17)19-15-10(11)1-2-12(14(15)18)22-8-5-20-3-6-21-7-4-20;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;10-5-3-7(11)13-9-4(5)1-2-6(14)8(9)12;7-1-2-8-3-5-9-6-4-8/h1-2,9H,3-8H2;2-4H,1H3;1-3,14H;1-6H2
InChIKeyFFBFIPZQYCQQSY-UHFFFAOYSA-N
XLogP12.57
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.30
LogP ≤ 512.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine?
The IUPAC name of 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine (CID 158012476) is 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine?
The canonical SMILES for 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine is COc1ccc2c(Cl)cc(Cl)nc2c1Cl.ClCCN1CCOCC1.Clc1cc(Cl)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.Oc1ccc2c(Cl)cc(Cl)nc2c1Cl.
What is the InChIKey of 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine?
The InChIKey is FFBFIPZQYCQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O2.C10H6Cl3NO.C9H4Cl3NO.C6H12ClNO/c16-11-9-13(17)19-15-10(11)1-2-12(14(15)18)22-8-5-20-3-6-21-7-4-20;1-15-7-3-2-5-6(11)4-8(12)14-10(5)9(7)13;10-5-3-7(11)13-9-4(5)1-2-6(14)8(9)12;7-1-2-8-3-5-9-6-4-8/h1-2,9H,3-8H2;2-4H,1H3;1-3,14H;1-6H2.
What are the key properties of 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine?
4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine has a molecular weight of 1022.30 g/mol, XLogP of 12.57, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;2,4,8-trichloro-7-methoxyquinoline;2,4,8-trichloroquinolin-7-ol;4-[2-(2,4,8-trichloroquinolin-7-yl)oxyethyl]morpholine is sourced from PubChem (CID 158012476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).