[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol

C21H22N2O2 — CID 133354127

IUPAC[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol
SMILESCc1ccccc1C1CN(c2nc3ccccc3cc2CO)CCO1
InChIInChI=1S/C21H22N2O2/c1-15-6-2-4-8-18(15)20-13-23(10-11-25-20)21-17(14-24)12-16-7-3-5-9-19(16)22-21/h2-9,12,20,24H,10-11,13-14H2,1H3
InChIKeyKGHAZCZLXZHHNA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.61
Rot. Bonds3

About [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol

[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol (PubChem CID 133354127) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol
PubChem CID133354127
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol
SMILESCc1ccccc1C1CN(c2nc3ccccc3cc2CO)CCO1
InChIInChI=1S/C21H22N2O2/c1-15-6-2-4-8-18(15)20-13-23(10-11-25-20)21-17(14-24)12-16-7-3-5-9-19(16)22-21/h2-9,12,20,24H,10-11,13-14H2,1H3
InChIKeyKGHAZCZLXZHHNA-UHFFFAOYSA-N
XLogP3.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol (CID 133354127) is [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol is Cc1ccccc1C1CN(c2nc3ccccc3cc2CO)CCO1.
What is the InChIKey of [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol?
The InChIKey is KGHAZCZLXZHHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-6-2-4-8-18(15)20-13-23(10-11-25-20)21-17(14-24)12-16-7-3-5-9-19(16)22-21/h2-9,12,20,24H,10-11,13-14H2,1H3.
What are the key properties of [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol?
[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 133354127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).