4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide

C24H24ClF3N6O3 — CID 138637494

IUPAC4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide
SMILESCOc1nc2ccc(C(O)(C3=CNNN3C)c3ccc(C)nc3C)cc2c(Cl)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H24ClF3N6O3/c1-12-5-7-16(13(2)31-12)24(36,18-10-30-33-34(18)3)14-6-8-17-15(9-14)20(25)19(22(32-17)37-4)21(35)29-11-23(26,27)28/h5-10,30,33,36H,11H2,1-4H3,(H,29,35)
InChIKeySHEQIBCQGAYTER-UHFFFAOYSA-N
MW536.94 g/mol
LogP3.23
Rot. Bonds6

About 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide

4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide (PubChem CID 138637494) has the molecular formula C24H24ClF3N6O3 and a molecular weight of 536.94 g/mol. Its IUPAC name is 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide
PubChem CID138637494
Molecular FormulaC24H24ClF3N6O3
Molecular Weight536.94 g/mol
Exact Mass536.16
IUPAC Name4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide
SMILESCOc1nc2ccc(C(O)(C3=CNNN3C)c3ccc(C)nc3C)cc2c(Cl)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H24ClF3N6O3/c1-12-5-7-16(13(2)31-12)24(36,18-10-30-33-34(18)3)14-6-8-17-15(9-14)20(25)19(22(32-17)37-4)21(35)29-11-23(26,27)28/h5-10,30,33,36H,11H2,1-4H3,(H,29,35)
InChIKeySHEQIBCQGAYTER-UHFFFAOYSA-N
XLogP3.23
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.94
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide with MolForge

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Related Compounds

[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118031262
[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118031218
(R)-[4-chloro-2-methoxy-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 138805806
(S)-[4-chloro-3-[(4,4-difluoropiperidin-1-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 138805797
[4-chloro-3-[(cyclopropylmethylamino)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 129303841
[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118031205
1-[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)-N,N-dimethyl-1-(3-methyltriazol-4-yl)methanamine
CID 118006095
[4-chloro-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118022071
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-bis(1,2,5-trimethylimidazol-4-yl)methanol
CID 90102948
[4-chloro-2-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022817
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 118021980
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide
CID 118031303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide?
The IUPAC name of 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide (CID 138637494) is 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide is COc1nc2ccc(C(O)(C3=CNNN3C)c3ccc(C)nc3C)cc2c(Cl)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide?
The InChIKey is SHEQIBCQGAYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O3/c1-12-5-7-16(13(2)31-12)24(36,18-10-30-33-34(18)3)14-6-8-17-15(9-14)20(25)19(22(32-17)37-4)21(35)29-11-23(26,27)28/h5-10,30,33,36H,11H2,1-4H3,(H,29,35).
What are the key properties of 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide?
4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide has a molecular weight of 536.94 g/mol, XLogP of 3.23, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyl-1,2-dihydrotriazol-4-yl)methyl]-2-methoxy-N-(2,2,2-trifluoroethyl)quinoline-3-carboxamide is sourced from PubChem (CID 138637494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).