7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline

C19H17ClN4O2 — CID 26452830

IUPAC7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17ClN4O2/c20-14-5-6-15-16(13-14)21-8-7-17(15)22-9-11-23(12-10-22)18-3-1-2-4-19(18)24(25)26/h1-8,13H,9-12H2
InChIKeyWJMZBZGLWFVJSY-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.12
Rot. Bonds3

About 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline

7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline (PubChem CID 26452830) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
PubChem CID26452830
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17ClN4O2/c20-14-5-6-15-16(13-14)21-8-7-17(15)22-9-11-23(12-10-22)18-3-1-2-4-19(18)24(25)26/h1-8,13H,9-12H2
InChIKeyWJMZBZGLWFVJSY-UHFFFAOYSA-N
XLogP4.12
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52949780
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 2964859
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
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
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline (CID 26452830) is 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline is O=[N+]([O-])c1ccccc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The InChIKey is WJMZBZGLWFVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-5-6-15-16(13-14)21-8-7-17(15)22-9-11-23(12-10-22)18-3-1-2-4-19(18)24(25)26/h1-8,13H,9-12H2.
What are the key properties of 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline has a molecular weight of 368.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 26452830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).