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

C23H22FN3O2 — CID 78320545

IUPAC7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGMHCTAHKTPVCCL-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.39
Rot. Bonds4

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

7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78320545) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78320545
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGMHCTAHKTPVCCL-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78320545) is 7-fluoro-1-methyl-6-[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-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1.
What is the InChIKey of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GMHCTAHKTPVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3.
What are the key properties of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-methyl-6-[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-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78320545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).