8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline

C23H19ClN6OS — CID 59484241

IUPAC8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1
InChIInChI=1S/C23H19ClN6OS/c1-15-10-19(30-9-6-25-14-30)16-4-3-5-20(22(16)28-15)31-13-17-18(24)11-26-12-21(17)32-23-27-7-8-29(23)2/h3-12,14H,13H2,1-2H3
InChIKeyQEOHRAVRYFWKGU-UHFFFAOYSA-N
MW462.97 g/mol
LogP5.24
Rot. Bonds6

About 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline

8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline (PubChem CID 59484241) has the molecular formula C23H19ClN6OS and a molecular weight of 462.97 g/mol. Its IUPAC name is 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline.

Molecular Properties

Compound Name8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
PubChem CID59484241
Molecular FormulaC23H19ClN6OS
Molecular Weight462.97 g/mol
Exact Mass462.10
IUPAC Name8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1
InChIInChI=1S/C23H19ClN6OS/c1-15-10-19(30-9-6-25-14-30)16-4-3-5-20(22(16)28-15)31-13-17-18(24)11-26-12-21(17)32-23-27-7-8-29(23)2/h3-12,14H,13H2,1-2H3
InChIKeyQEOHRAVRYFWKGU-UHFFFAOYSA-N
XLogP5.24
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.97
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The IUPAC name of 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline (CID 59484241) is 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline.
What is the SMILES notation for 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The canonical SMILES for 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1.
What is the InChIKey of 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
The InChIKey is QEOHRAVRYFWKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6OS/c1-15-10-19(30-9-6-25-14-30)16-4-3-5-20(22(16)28-15)31-13-17-18(24)11-26-12-21(17)32-23-27-7-8-29(23)2/h3-12,14H,13H2,1-2H3.
What are the key properties of 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline?
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline has a molecular weight of 462.97 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline is sourced from PubChem (CID 59484241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).