7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline

C19H25ClN4 — CID 133315656

IUPAC7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
SMILESCN1CCCC(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)C1
InChIInChI=1S/C19H25ClN4/c1-22-8-2-3-16(14-22)23-9-11-24(12-10-23)19-6-7-21-18-13-15(20)4-5-17(18)19/h4-7,13,16H,2-3,8-12,14H2,1H3
InChIKeyRJKNSEAKIJYULC-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.10
Rot. Bonds2

About 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline

7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline (PubChem CID 133315656) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
PubChem CID133315656
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC Name7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
SMILESCN1CCCC(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)C1
InChIInChI=1S/C19H25ClN4/c1-22-8-2-3-16(14-22)23-9-11-24(12-10-23)19-6-7-21-18-13-15(20)4-5-17(18)19/h4-7,13,16H,2-3,8-12,14H2,1H3
InChIKeyRJKNSEAKIJYULC-UHFFFAOYSA-N
XLogP3.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
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-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257021
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
CID 133301044
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline (CID 133315656) is 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline is CN1CCCC(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)C1.
What is the InChIKey of 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline?
The InChIKey is RJKNSEAKIJYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-22-8-2-3-16(14-22)23-9-11-24(12-10-23)19-6-7-21-18-13-15(20)4-5-17(18)19/h4-7,13,16H,2-3,8-12,14H2,1H3.
What are the key properties of 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline?
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline has a molecular weight of 344.89 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133315656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).