[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol

C23H23ClF3N5O3 — CID 129313714

IUPAC[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(F)(F)F
InChIInChI=1S/C23H23ClF3N5O3/c1-12-16(10-31(3)30-12)23(33,18-9-28-13(2)32(18)4)14-6-7-17-15(8-14)19(24)20(21(29-17)34-5)35-11-22(25,26)27/h6-10,33H,11H2,1-5H3
InChIKeyLHMRQDMJPAGHBV-UHFFFAOYSA-N
MW509.92 g/mol
LogP4.21
Rot. Bonds6

About [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol

[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 129313714) has the molecular formula C23H23ClF3N5O3 and a molecular weight of 509.92 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID129313714
Molecular FormulaC23H23ClF3N5O3
Molecular Weight509.92 g/mol
Exact Mass509.14
IUPAC Name[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(F)(F)F
InChIInChI=1S/C23H23ClF3N5O3/c1-12-16(10-31(3)30-12)23(33,18-9-28-13(2)32(18)4)14-6-7-17-15(8-14)19(24)20(21(29-17)34-5)35-11-22(25,26)27/h6-10,33H,11H2,1-5H3
InChIKeyLHMRQDMJPAGHBV-UHFFFAOYSA-N
XLogP4.21
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol 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 [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol (CID 129313714) is [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol is COc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(F)(F)F.
What is the InChIKey of [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is LHMRQDMJPAGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O3/c1-12-16(10-31(3)30-12)23(33,18-9-28-13(2)32(18)4)14-6-7-17-15(8-14)19(24)20(21(29-17)34-5)35-11-22(25,26)27/h6-10,33H,11H2,1-5H3.
What are the key properties of [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
[4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 509.92 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 129313714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).