N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C17H17ClFN3O — CID 22198980

IUPACN-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2cc(F)ccc2N1CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H17ClFN3O/c1-11-4-5-12-9-13(19)6-7-15(12)22(11)10-16(23)21-14-3-2-8-20-17(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,21,23)
InChIKeyGULGCDCKPXGNQQ-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.65
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 22198980) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID22198980
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2cc(F)ccc2N1CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H17ClFN3O/c1-11-4-5-12-9-13(19)6-7-15(12)22(11)10-16(23)21-14-3-2-8-20-17(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,21,23)
InChIKeyGULGCDCKPXGNQQ-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 22198980) is N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC1CCc2cc(F)ccc2N1CC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is GULGCDCKPXGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c1-11-4-5-12-9-13(19)6-7-15(12)22(11)10-16(23)21-14-3-2-8-20-17(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,21,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 333.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 22198980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).