4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline

C20H24FNO2 — CID 153395551

IUPAC4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline
SMILESCC[C@@H]1C(CCOc2ccnc3ccc(F)cc23)[C@H]1/C(C)=C\OC
InChIInChI=1S/C20H24FNO2/c1-4-15-16(20(15)13(2)12-23-3)8-10-24-19-7-9-22-18-6-5-14(21)11-17(18)19/h5-7,9,11-12,15-16,20H,4,8,10H2,1-3H3/b13-12-/t15-,16?,20+/m1/s1
InChIKeyXKISHNJQBSJLKP-UGWIHEDLSA-N
MW329.42 g/mol
LogP4.97
Rot. Bonds7

About 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline

4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline (PubChem CID 153395551) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline
PubChem CID153395551
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline
SMILESCC[C@@H]1C(CCOc2ccnc3ccc(F)cc23)[C@H]1/C(C)=C\OC
InChIInChI=1S/C20H24FNO2/c1-4-15-16(20(15)13(2)12-23-3)8-10-24-19-7-9-22-18-6-5-14(21)11-17(18)19/h5-7,9,11-12,15-16,20H,4,8,10H2,1-3H3/b13-12-/t15-,16?,20+/m1/s1
InChIKeyXKISHNJQBSJLKP-UGWIHEDLSA-N
XLogP4.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline with MolForge

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Related Compounds

6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
CID 166682872
1-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azatricyclo[3.1.0.02,6]hexane
CID 166682867
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
CID 166682866
4-fluoro-2-propoxybenzaldehyde
CID 74889364
6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
CID 163576137

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline?
The IUPAC name of 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline (CID 153395551) is 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline.
What is the SMILES notation for 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline?
The canonical SMILES for 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline is CC[C@@H]1C(CCOc2ccnc3ccc(F)cc23)[C@H]1/C(C)=C\OC.
What is the InChIKey of 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline?
The InChIKey is XKISHNJQBSJLKP-UGWIHEDLSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-4-15-16(20(15)13(2)12-23-3)8-10-24-19-7-9-22-18-6-5-14(21)11-17(18)19/h5-7,9,11-12,15-16,20H,4,8,10H2,1-3H3/b13-12-/t15-,16?,20+/m1/s1.
What are the key properties of 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline?
4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline has a molecular weight of 329.42 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,3S)-2-ethyl-3-[(Z)-1-methoxyprop-1-en-2-yl]cyclopropyl]ethoxy]-6-fluoroquinoline is sourced from PubChem (CID 153395551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).