3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide

C22H17F3N4O2 — CID 175597941

IUPAC3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17F3N4O2/c1-11-19-12(2)28-29(20(19)15-5-3-4-6-16(15)26-11)21(30)27-17-10-31-18-9-13(22(23,24)25)7-8-14(17)18/h3-9,17H,10H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyIUHPSDVYSJFQRF-QGZVFWFLSA-N
MW426.40 g/mol
LogP4.91
Rot. Bonds1

About 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide

3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (PubChem CID 175597941) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
PubChem CID175597941
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide
SMILESCc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17F3N4O2/c1-11-19-12(2)28-29(20(19)15-5-3-4-6-16(15)26-11)21(30)27-17-10-31-18-9-13(22(23,24)25)7-8-14(17)18/h3-9,17H,10H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyIUHPSDVYSJFQRF-QGZVFWFLSA-N
XLogP4.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide 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 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide (CID 175597941) is 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is Cc1nc2ccccc2c2c1c(C)nn2C(=O)N[C@@H]1COc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
The InChIKey is IUHPSDVYSJFQRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-11-19-12(2)28-29(20(19)15-5-3-4-6-16(15)26-11)21(30)27-17-10-31-18-9-13(22(23,24)25)7-8-14(17)18/h3-9,17H,10H2,1-2H3,(H,27,30)/t17-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide?
3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-1-carboxamide is sourced from PubChem (CID 175597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).