(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone

C26H26FN3O — CID 157066162

IUPAC(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone
SMILESC=C(N1CCN(C(=O)c2ccc(-c3cnc4ccccc4c3)cc2F)CC1)C1(C)CC1
InChIInChI=1S/C26H26FN3O/c1-18(26(2)9-10-26)29-11-13-30(14-12-29)25(31)22-8-7-19(16-23(22)27)21-15-20-5-3-4-6-24(20)28-17-21/h3-8,15-17H,1,9-14H2,2H3
InChIKeyABWZOCSGBDNQAN-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.11
Rot. Bonds4

About (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone

(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone (PubChem CID 157066162) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone
PubChem CID157066162
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone
SMILESC=C(N1CCN(C(=O)c2ccc(-c3cnc4ccccc4c3)cc2F)CC1)C1(C)CC1
InChIInChI=1S/C26H26FN3O/c1-18(26(2)9-10-26)29-11-13-30(14-12-29)25(31)22-8-7-19(16-23(22)27)21-15-20-5-3-4-6-24(20)28-17-21/h3-8,15-17H,1,9-14H2,2H3
InChIKeyABWZOCSGBDNQAN-UHFFFAOYSA-N
XLogP5.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(2-methoxy-4-quinolin-3-ylphenyl)methanone
CID 86275797
(2-fluoro-4-quinolin-3-ylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11553176
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621873
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 154700389
[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
CID 146140219
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone (CID 157066162) is (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone is C=C(N1CCN(C(=O)c2ccc(-c3cnc4ccccc4c3)cc2F)CC1)C1(C)CC1.
What is the InChIKey of (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone?
The InChIKey is ABWZOCSGBDNQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c1-18(26(2)9-10-26)29-11-13-30(14-12-29)25(31)22-8-7-19(16-23(22)27)21-15-20-5-3-4-6-24(20)28-17-21/h3-8,15-17H,1,9-14H2,2H3.
What are the key properties of (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone?
(2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone has a molecular weight of 415.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-quinolin-3-ylphenyl)-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 157066162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).