7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C22H20FN3O2 — CID 78320544

IUPAC7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccnc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2)c1
InChIInChI=1S/C22H20FN3O2/c1-14-5-6-25-21(7-14)28-13-15-8-17(12-24-11-15)18-9-16-3-4-22(27)26(2)20(16)10-19(18)23/h5-12H,3-4,13H2,1-2H3
InChIKeyUTLYURWNJQNQGJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.08
Rot. Bonds4

About 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78320544) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78320544
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccnc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2)c1
InChIInChI=1S/C22H20FN3O2/c1-14-5-6-25-21(7-14)28-13-15-8-17(12-24-11-15)18-9-16-3-4-22(27)26(2)20(16)10-19(18)23/h5-12H,3-4,13H2,1-2H3
InChIKeyUTLYURWNJQNQGJ-UHFFFAOYSA-N
XLogP4.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78320544) is 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1ccnc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2)c1.
What is the InChIKey of 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is UTLYURWNJQNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-5-6-25-21(7-14)28-13-15-8-17(12-24-11-15)18-9-16-3-4-22(27)26(2)20(16)10-19(18)23/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 377.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78320544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).