7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

C19H19ClN3+ — CID 7786020

IUPAC7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium
SMILESClc1ccc2c(N3CCN(c4ccccc4)CC3)cc[nH+]c2c1
InChIInChI=1S/C19H18ClN3/c20-15-6-7-17-18(14-15)21-9-8-19(17)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-9,14H,10-13H2/p+1
InChIKeySHBIVVWFJHADHA-UHFFFAOYSA-O
MW324.84 g/mol
LogP3.63
Rot. Bonds2

About 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium (PubChem CID 7786020) has the molecular formula C19H19ClN3+ and a molecular weight of 324.84 g/mol. Its IUPAC name is 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium.

Molecular Properties

Compound Name7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium
PubChem CID7786020
Molecular FormulaC19H19ClN3+
Molecular Weight324.84 g/mol
Exact Mass324.13
IUPAC Name7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium
SMILESClc1ccc2c(N3CCN(c4ccccc4)CC3)cc[nH+]c2c1
InChIInChI=1S/C19H18ClN3/c20-15-6-7-17-18(14-15)21-9-8-19(17)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-9,14H,10-13H2/p+1
InChIKeySHBIVVWFJHADHA-UHFFFAOYSA-O
XLogP3.63
TPSA20.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylethanone
CID 7211832
7-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium
CID 6934369
7-chloro-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium
CID 9109540
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
N-(2-chloro-6-methylphenyl)-4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxamide
CID 7189217
(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine
CID 8000509
N-butyl-4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxamide
CID 7189220
4-(7-chloroquinolin-1-ium-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 40776448
1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
CID 114846295
1-phenanthren-9-yl-4-phenylpiperazine
CID 101487522
(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 22330413
5-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784714

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The IUPAC name of 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium (CID 7786020) is 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium.
What is the SMILES notation for 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The canonical SMILES for 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium is Clc1ccc2c(N3CCN(c4ccccc4)CC3)cc[nH+]c2c1.
What is the InChIKey of 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The InChIKey is SHBIVVWFJHADHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18ClN3/c20-15-6-7-17-18(14-15)21-9-8-19(17)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-9,14H,10-13H2/p+1.
What are the key properties of 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium?
7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium has a molecular weight of 324.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium is sourced from PubChem (CID 7786020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).