4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline

C19H17N3OS — CID 95401265

IUPAC4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline
SMILESCO[C@@H](Cn1ccnc1-c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C19H17N3OS/c1-23-17(18-7-4-12-24-18)13-22-11-10-21-19(22)15-8-9-20-16-6-3-2-5-14(15)16/h2-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyHWUKCRCCVZMAQC-KRWDZBQOSA-N
MW335.43 g/mol
LogP4.55
Rot. Bonds5

About 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline

4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline (PubChem CID 95401265) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline
PubChem CID95401265
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline
SMILESCO[C@@H](Cn1ccnc1-c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C19H17N3OS/c1-23-17(18-7-4-12-24-18)13-22-11-10-21-19(22)15-8-9-20-16-6-3-2-5-14(15)16/h2-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyHWUKCRCCVZMAQC-KRWDZBQOSA-N
XLogP4.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline?
The IUPAC name of 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline (CID 95401265) is 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline is CO[C@@H](Cn1ccnc1-c1ccnc2ccccc12)c1cccs1.
What is the InChIKey of 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline?
The InChIKey is HWUKCRCCVZMAQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-23-17(18-7-4-12-24-18)13-22-11-10-21-19(22)15-8-9-20-16-6-3-2-5-14(15)16/h2-12,17H,13H2,1H3/t17-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline?
4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline has a molecular weight of 335.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 95401265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).