7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C23H22FN3O2 — CID 139462701

IUPAC7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3c(F)ccc4c3N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-20(26-14)29-13-17-11-25-12-18(15(17)2)22-19(24)9-7-16-8-10-21(28)27(3)23(16)22/h4-7,9,11-12H,8,10,13H2,1-3H3
InChIKeyOSELHAOEZNRJLX-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.39
Rot. Bonds4

About 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 139462701) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID139462701
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3c(F)ccc4c3N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-20(26-14)29-13-17-11-25-12-18(15(17)2)22-19(24)9-7-16-8-10-21(28)27(3)23(16)22/h4-7,9,11-12H,8,10,13H2,1-3H3
InChIKeyOSELHAOEZNRJLX-UHFFFAOYSA-N
XLogP4.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462702
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462704
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
1,7-dimethyl-3,4-dihydro-1,8-naphthyridin-2-one;ethane
CID 162737758
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90390698
6-methyl-1-[[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]methyl]pyridin-2-one
CID 169227224
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 139462701) is 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1cccc(OCc2cncc(-c3c(F)ccc4c3N(C)C(=O)CC4)c2C)n1.
What is the InChIKey of 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OSELHAOEZNRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14-5-4-6-20(26-14)29-13-17-11-25-12-18(15(17)2)22-19(24)9-7-16-8-10-21(28)27(3)23(16)22/h4-7,9,11-12H,8,10,13H2,1-3H3.
What are the key properties of 7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 391.45 g/mol, XLogP of 4.39, 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-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139462701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).