[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone

C23H23FN4O2 — CID 53330928

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone
SMILESNc1nc2ccc(-c3ccc(F)cc3C(=O)N3CCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C23H23FN4O2/c24-17-3-4-18(19(14-17)23(29)28-6-1-7-28)15-2-5-20-16(12-15)13-21(22(25)26-20)27-8-10-30-11-9-27/h2-5,12-14H,1,6-11H2,(H2,25,26)
InChIKeyWBFKSZDQNXOOSF-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.31
Rot. Bonds3

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone (PubChem CID 53330928) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone
PubChem CID53330928
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone
SMILESNc1nc2ccc(-c3ccc(F)cc3C(=O)N3CCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C23H23FN4O2/c24-17-3-4-18(19(14-17)23(29)28-6-1-7-28)15-2-5-20-16(12-15)13-21(22(25)26-20)27-8-10-30-11-9-27/h2-5,12-14H,1,6-11H2,(H2,25,26)
InChIKeyWBFKSZDQNXOOSF-UHFFFAOYSA-N
XLogP3.31
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone (CID 53330928) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone is Nc1nc2ccc(-c3ccc(F)cc3C(=O)N3CCC3)cc2cc1N1CCOCC1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone?
The InChIKey is WBFKSZDQNXOOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-17-3-4-18(19(14-17)23(29)28-6-1-7-28)15-2-5-20-16(12-15)13-21(22(25)26-20)27-8-10-30-11-9-27/h2-5,12-14H,1,6-11H2,(H2,25,26).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone has a molecular weight of 406.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluorophenyl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 53330928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).