1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline

C18H16F4N2 — CID 135240101

IUPAC1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline
SMILESCc1cc(C2=NC(C)(C)C(F)(F)c3ccccc32)cnc1C(F)F
InChIInChI=1S/C18H16F4N2/c1-10-8-11(9-23-14(10)16(19)20)15-12-6-4-5-7-13(12)18(21,22)17(2,3)24-15/h4-9,16H,1-3H3
InChIKeyQNVOOJXOJDDTNR-UHFFFAOYSA-N
MW336.33 g/mol
LogP5.05
Rot. Bonds2

About 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline

1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline (PubChem CID 135240101) has the molecular formula C18H16F4N2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline
PubChem CID135240101
Molecular FormulaC18H16F4N2
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC Name1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline
SMILESCc1cc(C2=NC(C)(C)C(F)(F)c3ccccc32)cnc1C(F)F
InChIInChI=1S/C18H16F4N2/c1-10-8-11(9-23-14(10)16(19)20)15-12-6-4-5-7-13(12)18(21,22)17(2,3)24-15/h4-9,16H,1-3H3
InChIKeyQNVOOJXOJDDTNR-UHFFFAOYSA-N
XLogP5.05
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline 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

1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4-fluoro-3,3,4-trimethylisoquinoline
CID 170389002
4,4-difluoro-1-[5-(fluoromethyl)-6-methyl-3-pyridinyl]-3,3-dimethylisoquinoline
CID 138687855
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 166132407
4,4-difluoro-1-[6-(fluoromethyl)-5-methoxy-3-pyridinyl]-3,3-dimethylisoquinoline
CID 151180973
5-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-2,3-dimethyl-2,3-dihydro-1,4-benzoxazepine
CID 171619613
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
CID 171619551
(2S)-9-chloro-5-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-2-methylspiro[2H-1,4-benzoxazepine-3,1'-cyclopropane]
CID 178182289
4,4-difluoro-3,3-dimethyl-1-(4-methylsulfonylquinolin-6-yl)isoquinoline
CID 135152725
6-(4,4-difluoro-3,3-dimethylisoquinolin-1-yl)chromen-4-one
CID 135152901
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline
CID 135306237
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline?
The IUPAC name of 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline (CID 135240101) is 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline.
What is the SMILES notation for 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline?
The canonical SMILES for 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline is Cc1cc(C2=NC(C)(C)C(F)(F)c3ccccc32)cnc1C(F)F.
What is the InChIKey of 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline?
The InChIKey is QNVOOJXOJDDTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2/c1-10-8-11(9-23-14(10)16(19)20)15-12-6-4-5-7-13(12)18(21,22)17(2,3)24-15/h4-9,16H,1-3H3.
What are the key properties of 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline?
1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline has a molecular weight of 336.33 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline is sourced from PubChem (CID 135240101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).