1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one

C26H30FN3O — CID 22483998

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C26H30FN3O/c27-21-9-10-24-22(17-21)23(18-28-24)19-11-15-29(16-12-19)13-4-8-26(31)30-14-3-6-20-5-1-2-7-25(20)30/h1-2,5,7,9-10,17-19,28H,3-4,6,8,11-16H2
InChIKeyARBGPUGFFUMXCU-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.25
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 22483998) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
PubChem CID22483998
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C26H30FN3O/c27-21-9-10-24-22(17-21)23(18-28-24)19-11-15-29(16-12-19)13-4-8-26(31)30-14-3-6-20-5-1-2-7-25(20)30/h1-2,5,7,9-10,17-19,28H,3-4,6,8,11-16H2
InChIKeyARBGPUGFFUMXCU-UHFFFAOYSA-N
XLogP5.25
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 22484045
2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1-oxido-1,2,3,4-tetrahydroquinolin-1-ium
CID 23030999
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972228
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one (CID 22483998) is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one is O=C(CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ARBGPUGFFUMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c27-21-9-10-24-22(17-21)23(18-28-24)19-11-15-29(16-12-19)13-4-8-26(31)30-14-3-6-20-5-1-2-7-25(20)30/h1-2,5,7,9-10,17-19,28H,3-4,6,8,11-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 419.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 22483998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).