(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine

C18H18F2N4O — CID 99859516

IUPAC(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(N2CCO[C@@H](Cn3cccn3)C2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H18F2N4O/c1-12-9-16(14-3-4-15(19)17(20)18(14)22-12)23-7-8-25-13(10-23)11-24-6-2-5-21-24/h2-6,9,13H,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeySQJUWMZTSOMBEJ-CYBMUJFWSA-N
MW344.37 g/mol
LogP2.92
Rot. Bonds3

About (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 99859516) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID99859516
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(N2CCO[C@@H](Cn3cccn3)C2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H18F2N4O/c1-12-9-16(14-3-4-15(19)17(20)18(14)22-12)23-7-8-25-13(10-23)11-24-6-2-5-21-24/h2-6,9,13H,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeySQJUWMZTSOMBEJ-CYBMUJFWSA-N
XLogP2.92
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine (CID 99859516) is (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine is Cc1cc(N2CCO[C@@H](Cn3cccn3)C2)c2ccc(F)c(F)c2n1.
What is the InChIKey of (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is SQJUWMZTSOMBEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-12-9-16(14-3-4-15(19)17(20)18(14)22-12)23-7-8-25-13(10-23)11-24-6-2-5-21-24/h2-6,9,13H,7-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 344.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 99859516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).