4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine

C20H19ClN2O — CID 4591823

IUPAC4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C20H19ClN2O/c1-14-19(15-6-8-16(21)9-7-15)22-18-5-3-2-4-17(18)20(14)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3
InChIKeyMCAIAKIVDVYMBX-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.70
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine

4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine (PubChem CID 4591823) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
PubChem CID4591823
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C20H19ClN2O/c1-14-19(15-6-8-16(21)9-7-15)22-18-5-3-2-4-17(18)20(14)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3
InChIKeyMCAIAKIVDVYMBX-UHFFFAOYSA-N
XLogP4.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine (CID 4591823) is 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1N1CCOCC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine?
The InChIKey is MCAIAKIVDVYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-14-19(15-6-8-16(21)9-7-15)22-18-5-3-2-4-17(18)20(14)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine?
4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine has a molecular weight of 338.84 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine is sourced from PubChem (CID 4591823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).