4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C26H30ClN3O — CID 22484045

IUPAC4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESO=C(CCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C26H30ClN3O/c27-23-9-3-8-21-22(18-28-26(21)23)19-12-16-29(17-13-19)14-5-11-25(31)30-15-4-7-20-6-1-2-10-24(20)30/h1-3,6,8-10,18-19,28H,4-5,7,11-17H2
InChIKeyAXZHMCJZZKXAGI-UHFFFAOYSA-N
MW436.00 g/mol
LogP5.76
Rot. Bonds5

About 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 22484045) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID22484045
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC Name4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESO=C(CCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C26H30ClN3O/c27-23-9-3-8-21-22(18-28-26(21)23)19-12-16-29(17-13-19)14-5-11-25(31)30-15-4-7-20-6-1-2-10-24(20)30/h1-3,6,8-10,18-19,28H,4-5,7,11-17H2
InChIKeyAXZHMCJZZKXAGI-UHFFFAOYSA-N
XLogP5.76
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-1-one
CID 22484021
1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
CID 22483998
1-[1-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]cyclopentane-1-carbaldehyde
CID 87735048
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrazolidine-3,5-dione
CID 110703723
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
N-[3-[2-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-4-fluorobenzamide
CID 22714396
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 22484045) is 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one is O=C(CCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1)N1CCCc2ccccc21.
What is the InChIKey of 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is AXZHMCJZZKXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O/c27-23-9-3-8-21-22(18-28-26(21)23)19-12-16-29(17-13-19)14-5-11-25(31)30-15-4-7-20-6-1-2-10-24(20)30/h1-3,6,8-10,18-19,28H,4-5,7,11-17H2.
What are the key properties of 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 436.00 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 22484045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).