7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline

C16H18Cl2N2 — CID 63390489

IUPAC7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
SMILESClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2
InChIKeySFTBJURTHGGFEC-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.73
Rot. Bonds3

About 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline

7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline (PubChem CID 63390489) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
PubChem CID63390489
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
SMILESClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2
InChIKeySFTBJURTHGGFEC-UHFFFAOYSA-N
XLogP4.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
1-[[1-(7-chloroquinolin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56707594
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-chloro-N-[[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methyl]aniline
CID 166336183

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline (CID 63390489) is 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline is ClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The InChIKey is SFTBJURTHGGFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2.
What are the key properties of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline has a molecular weight of 309.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 63390489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).