[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C20H22FN3O3 — CID 94091057

IUPAC[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C20H22FN3O3/c1-13-11-16(15-5-4-14(21)12-17(15)22-13)19(25)23-6-8-24(9-7-23)20(26)18-3-2-10-27-18/h4-5,11-12,18H,2-3,6-10H2,1H3/t18-/m0/s1
InChIKeyJTQJGKKGXMKHSG-SFHVURJKSA-N
MW371.41 g/mol
LogP2.15
Rot. Bonds2

About [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 94091057) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID94091057
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C20H22FN3O3/c1-13-11-16(15-5-4-14(21)12-17(15)22-13)19(25)23-6-8-24(9-7-23)20(26)18-3-2-10-27-18/h4-5,11-12,18H,2-3,6-10H2,1H3/t18-/m0/s1
InChIKeyJTQJGKKGXMKHSG-SFHVURJKSA-N
XLogP2.15
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86929470
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 163305584
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287

Frequently Asked Questions

What is the IUPAC name of [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 94091057) is [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1.
What is the InChIKey of [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is JTQJGKKGXMKHSG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13-11-16(15-5-4-14(21)12-17(15)22-13)19(25)23-6-8-24(9-7-23)20(26)18-3-2-10-27-18/h4-5,11-12,18H,2-3,6-10H2,1H3/t18-/m0/s1.
What are the key properties of [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 371.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 94091057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).