8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline

C24H23ClN4O2S — CID 59484396

IUPAC8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3SC[C@@H]3CCCO3)c2n1
InChIInChI=1S/C24H23ClN4O2S/c1-16-10-21(29-8-7-26-15-29)18-5-2-6-22(24(18)28-16)31-13-19-20(25)11-27-12-23(19)32-14-17-4-3-9-30-17/h2,5-8,10-12,15,17H,3-4,9,13-14H2,1H3/t17-/m0/s1
InChIKeyGARZLPSOTYZRLQ-KRWDZBQOSA-N
MW466.99 g/mol
LogP5.63
Rot. Bonds7

About 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline

8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline (PubChem CID 59484396) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline.

Molecular Properties

Compound Name8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
PubChem CID59484396
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3SC[C@@H]3CCCO3)c2n1
InChIInChI=1S/C24H23ClN4O2S/c1-16-10-21(29-8-7-26-15-29)18-5-2-6-22(24(18)28-16)31-13-19-20(25)11-27-12-23(19)32-14-17-4-3-9-30-17/h2,5-8,10-12,15,17H,3-4,9,13-14H2,1H3/t17-/m0/s1
InChIKeyGARZLPSOTYZRLQ-KRWDZBQOSA-N
XLogP5.63
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
CID 135197646
8-((3-chloro-5-(1-methyl-1H-imidazol-2-ylthio)pyridin-4-yl)methoxy)-2-methyl-4-(1-methyl-1H-pyrazol-5-yl)quinoline
CID 44190752
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-imidazol-1-yl)-quinoline
CID 44191220
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(1-methyl-1H-imidazol-2-yl)-quinoline
CID 44191223
8-(3,5-dichloro-pyridin-4-ylmethoxy)-4-(1,5-dimethyl-1H-imidazol-2-yl)-2-methylquinoline
CID 44191224
5-Chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
CID 2997964
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(3-methyl-3H-imidazol-4-yl)-quinoline
CID 44191221
US11534443, Example 46
CID 135197600
US11534443, Example 34
CID 135197606
1-[[5-Chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]pyridin-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 59483958
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]pyridin-3-yl]methyl]-2,2,2-trifluoroethanesulfonamide
CID 59484004

Frequently Asked Questions

What is the IUPAC name of 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The IUPAC name of 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline (CID 59484396) is 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline.
What is the SMILES notation for 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The canonical SMILES for 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3SC[C@@H]3CCCO3)c2n1.
What is the InChIKey of 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The InChIKey is GARZLPSOTYZRLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-16-10-21(29-8-7-26-15-29)18-5-2-6-22(24(18)28-16)31-13-19-20(25)11-27-12-23(19)32-14-17-4-3-9-30-17/h2,5-8,10-12,15,17H,3-4,9,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline has a molecular weight of 466.99 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline is sourced from PubChem (CID 59484396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).