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

C15H12ClFN2O — CID 79255098

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(F)cc2N1Cc1cc(Cl)ccn1
InChIInChI=1S/C15H12ClFN2O/c16-11-5-6-18-13(7-11)9-19-14-8-12(17)3-1-10(14)2-4-15(19)20/h1,3,5-8H,2,4,9H2
InChIKeyZCMUCCKTZSGMLG-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.35
Rot. Bonds2

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

1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 79255098) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one
PubChem CID79255098
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(F)cc2N1Cc1cc(Cl)ccn1
InChIInChI=1S/C15H12ClFN2O/c16-11-5-6-18-13(7-11)9-19-14-8-12(17)3-1-10(14)2-4-15(19)20/h1,3,5-8H,2,4,9H2
InChIKeyZCMUCCKTZSGMLG-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one (CID 79255098) is 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(F)cc2N1Cc1cc(Cl)ccn1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is ZCMUCCKTZSGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-11-5-6-18-13(7-11)9-19-14-8-12(17)3-1-10(14)2-4-15(19)20/h1,3,5-8H,2,4,9H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 290.73 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79255098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).