(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

C16H13ClF2N2O2 — CID 60581548

IUPAC(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCc2cccc(OC(F)F)c21
InChIInChI=1S/C16H13ClF2N2O2/c17-13-7-6-11(9-20-13)15(22)21-8-2-4-10-3-1-5-12(14(10)21)23-16(18)19/h1,3,5-7,9,16H,2,4,8H2
InChIKeyVEKJIYZCOJDYOA-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.93
Rot. Bonds3

About (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 60581548) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID60581548
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC Name(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCc2cccc(OC(F)F)c21
InChIInChI=1S/C16H13ClF2N2O2/c17-13-7-6-11(9-20-13)15(22)21-8-2-4-10-3-1-5-12(14(10)21)23-16(18)19/h1,3,5-7,9,16H,2,4,8H2
InChIKeyVEKJIYZCOJDYOA-UHFFFAOYSA-N
XLogP3.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]acetamide
CID 60581444
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 60581739
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 86798226
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
CID 126780966
[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 14129268
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 60581587
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 60581548) is (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCCc2cccc(OC(F)F)c21.
What is the InChIKey of (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is VEKJIYZCOJDYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c17-13-7-6-11(9-20-13)15(22)21-8-2-4-10-3-1-5-12(14(10)21)23-16(18)19/h1,3,5-7,9,16H,2,4,8H2.
What are the key properties of (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 338.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 60581548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).