(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone

C17H17F2N3O — CID 52723946

IUPAC(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C17H17F2N3O/c1-21(2)16-13(5-3-7-20-16)17(23)22-8-4-6-12-14(19)9-11(18)10-15(12)22/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyJOCGZKRBFKCHSY-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.02
Rot. Bonds2

About (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone

(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 52723946) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
PubChem CID52723946
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C17H17F2N3O/c1-21(2)16-13(5-3-7-20-16)17(23)22-8-4-6-12-14(19)9-11(18)10-15(12)22/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyJOCGZKRBFKCHSY-UHFFFAOYSA-N
XLogP3.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone (CID 52723946) is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone is CN(C)c1ncccc1C(=O)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is JOCGZKRBFKCHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-21(2)16-13(5-3-7-20-16)17(23)22-8-4-6-12-14(19)9-11(18)10-15(12)22/h3,5,7,9-10H,4,6,8H2,1-2H3.
What are the key properties of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone?
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 317.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 52723946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).