cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

C26H30FN3O2 — CID 142581457

IUPACcyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCC1(C)CC=C(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN3O2/c1-26(2)9-7-17(8-10-26)23-20-15-19(27)5-6-22(20)28-16-21(23)25(32)30-13-11-29(12-14-30)24(31)18-3-4-18/h5-7,15-16,18H,3-4,8-14H2,1-2H3
InChIKeyRTDHTQYSRGBIEK-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.66
Rot. Bonds3

About cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581457) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581457
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Namecyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCC1(C)CC=C(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN3O2/c1-26(2)9-7-17(8-10-26)23-20-15-19(27)5-6-22(20)28-16-21(23)25(32)30-13-11-29(12-14-30)24(31)18-3-4-18/h5-7,15-16,18H,3-4,8-14H2,1-2H3
InChIKeyRTDHTQYSRGBIEK-UHFFFAOYSA-N
XLogP4.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581534
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
4-[6-fluoro-4-[4-(1-isocyanocyclopropyl)phenyl]quinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 159691494
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806
(Z)-3-cyclopropyl-2-[4-[6-fluoro-3-(4-methylsulfinylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]prop-2-enenitrile
CID 142581226
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
2-[1-[6-fluoro-3-(4-methylsulfanylpiperazine-1-carbonyl)quinolin-4-yl]piperidin-4-yl]acetonitrile
CID 142581516
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
ethane;(6-fluoro-4-piperazin-1-ylquinolin-3-yl)-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581238
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
CID 139509915

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581457) is cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is CC1(C)CC=C(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RTDHTQYSRGBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-26(2)9-7-17(8-10-26)23-20-15-19(27)5-6-22(20)28-16-21(23)25(32)30-13-11-29(12-14-30)24(31)18-3-4-18/h5-7,15-16,18H,3-4,8-14H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 435.54 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).