[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol

C24H20ClN5O2S — CID 59484099

IUPAC[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
SMILESCc1cc(-c2nccn2C)c2cccc(OCc3c(Cl)cncc3C(O)c3nccs3)c2n1
InChIInChI=1S/C24H20ClN5O2S/c1-14-10-16(23-27-6-8-30(23)2)15-4-3-5-20(21(15)29-14)32-13-18-17(11-26-12-19(18)25)22(31)24-28-7-9-33-24/h3-12,22,31H,13H2,1-2H3
InChIKeyJCEARFRZXRJJEA-UHFFFAOYSA-N
MW477.98 g/mol
LogP5.11
Rot. Bonds6

About [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol

[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 59484099) has the molecular formula C24H20ClN5O2S and a molecular weight of 477.98 g/mol. Its IUPAC name is [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
PubChem CID59484099
Molecular FormulaC24H20ClN5O2S
Molecular Weight477.98 g/mol
Exact Mass477.10
IUPAC Name[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
SMILESCc1cc(-c2nccn2C)c2cccc(OCc3c(Cl)cncc3C(O)c3nccs3)c2n1
InChIInChI=1S/C24H20ClN5O2S/c1-14-10-16(23-27-6-8-30(23)2)15-4-3-5-20(21(15)29-14)32-13-18-17(11-26-12-19(18)25)22(31)24-28-7-9-33-24/h3-12,22,31H,13H2,1-2H3
InChIKeyJCEARFRZXRJJEA-UHFFFAOYSA-N
XLogP5.11
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.98
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
CID 59484341
2-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)ethanol
CID 71053251
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl acetate
CID 59484174
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
CID 59484225
[(2S)-1-[3,5-dichloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]pyrrolidin-2-yl]methanamine
CID 59483906
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484241
8-[[3-chloro-5-(chloromethyl)-4-pyridinyl]methoxy]-2-methyl-4-(2-methylpyrazol-3-yl)quinoline
CID 67077254
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 59484307
2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
CID 145480952
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 59484112
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 59484539
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 89229012

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol (CID 59484099) is [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol is Cc1cc(-c2nccn2C)c2cccc(OCc3c(Cl)cncc3C(O)c3nccs3)c2n1.
What is the InChIKey of [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is JCEARFRZXRJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c1-14-10-16(23-27-6-8-30(23)2)15-4-3-5-20(21(15)29-14)32-13-18-17(11-26-12-19(18)25)22(31)24-28-7-9-33-24/h3-12,22,31H,13H2,1-2H3.
What are the key properties of [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
[5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 477.98 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 59484099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).