(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C16H19F2N3 — CID 121373401

IUPAC(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESC[C@@H]1CCN(C)c2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C16H19F2N3/c1-10-4-5-20(2)15-7-14(16(17)18)13(6-12(10)15)11-8-19-21(3)9-11/h6-10,16H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMMBWPXONMNUIAE-SNVBAGLBSA-N
MW291.35 g/mol
LogP3.97
Rot. Bonds2

About (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 121373401) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID121373401
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESC[C@@H]1CCN(C)c2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C16H19F2N3/c1-10-4-5-20(2)15-7-14(16(17)18)13(6-12(10)15)11-8-19-21(3)9-11/h6-10,16H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMMBWPXONMNUIAE-SNVBAGLBSA-N
XLogP3.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 121373401) is (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is C[C@@H]1CCN(C)c2cc(C(F)F)c(-c3cnn(C)c3)cc21.
What is the InChIKey of (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is MMBWPXONMNUIAE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-10-4-5-20(2)15-7-14(16(17)18)13(6-12(10)15)11-8-19-21(3)9-11/h6-10,16H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 291.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121373401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).