1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone

C19H20FN3O2 — CID 75391181

IUPAC1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1)C1CC1
InChIInChI=1S/C19H20FN3O2/c20-16-3-4-17-14(10-16)9-15(11-21-17)19(25)23-7-5-22(6-8-23)12-18(24)13-1-2-13/h3-4,9-11,13H,1-2,5-8,12H2
InChIKeyLEXJNVJKTHYEEW-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone

1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 75391181) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID75391181
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1)C1CC1
InChIInChI=1S/C19H20FN3O2/c20-16-3-4-17-14(10-16)9-15(11-21-17)19(25)23-7-5-22(6-8-23)12-18(24)13-1-2-13/h3-4,9-11,13H,1-2,5-8,12H2
InChIKeyLEXJNVJKTHYEEW-UHFFFAOYSA-N
XLogP2.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(6-fluoroquinolin-3-yl)methanone
CID 134393278
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110489748
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
(6-fluoroquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126792102
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
6-fluoroquinoline-3-carbohydrazide
CID 119026646
cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
CID 123320554
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
CID 110489844
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
CID 146126137
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone (CID 75391181) is 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LEXJNVJKTHYEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-3-4-17-14(10-16)9-15(11-21-17)19(25)23-7-5-22(6-8-23)12-18(24)13-1-2-13/h3-4,9-11,13H,1-2,5-8,12H2.
What are the key properties of 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone?
1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 341.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75391181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).