N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

C23H19ClF2N4O2 — CID 19512143

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c3ccccc3n2)c1C
InChIInChI=1S/C23H19ClF2N4O2/c1-3-30-13(2)17(12-27-30)20-11-16(15-6-4-5-7-19(15)29-20)22(31)28-14-8-9-21(18(24)10-14)32-23(25)26/h4-12,23H,3H2,1-2H3,(H,28,31)
InChIKeyUOINRKXLOWUGCT-UHFFFAOYSA-N
MW456.88 g/mol
LogP5.93
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512143) has the molecular formula C23H19ClF2N4O2 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512143
Molecular FormulaC23H19ClF2N4O2
Molecular Weight456.88 g/mol
Exact Mass456.12
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c3ccccc3n2)c1C
InChIInChI=1S/C23H19ClF2N4O2/c1-3-30-13(2)17(12-27-30)20-11-16(15-6-4-5-7-19(15)29-20)22(31)28-14-8-9-21(18(24)10-14)32-23(25)26/h4-12,23H,3H2,1-2H3,(H,28,31)
InChIKeyUOINRKXLOWUGCT-UHFFFAOYSA-N
XLogP5.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.88
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide 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

2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303
methyl 3-chloro-6-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19512234
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
CID 17372672
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512011
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512243
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512127

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512143) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is CCn1ncc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c3ccccc3n2)c1C.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is UOINRKXLOWUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c1-3-30-13(2)17(12-27-30)20-11-16(15-6-4-5-7-19(15)29-20)22(31)28-14-8-9-21(18(24)10-14)32-23(25)26/h4-12,23H,3H2,1-2H3,(H,28,31).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 456.88 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).