4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride

C20H21ClN2O — CID 12006251

IUPAC4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride
SMILESCc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22;/h2-9,14H,10-13H2,1H3;1H
InChIKeyWWIVBRNQHDBBKB-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.47
Rot. Bonds2

About 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride

4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride (PubChem CID 12006251) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride
PubChem CID12006251
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride
SMILESCc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22;/h2-9,14H,10-13H2,1H3;1H
InChIKeyWWIVBRNQHDBBKB-UHFFFAOYSA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride (CID 12006251) is 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride is Cc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12.Cl.
What is the InChIKey of 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The InChIKey is WWIVBRNQHDBBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22;/h2-9,14H,10-13H2,1H3;1H.
What are the key properties of 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride?
4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylquinolin-2-yl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 12006251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).