7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline

C27H19Cl2FN2 — CID 132563540

IUPAC7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline
SMILESFc1ccc(C(Cc2ccc3ccc(Cl)cc3n2)Cc2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C27H19Cl2FN2/c28-21-7-1-18-5-11-24(31-26(18)15-21)13-20(17-3-9-23(30)10-4-17)14-25-12-6-19-2-8-22(29)16-27(19)32-25/h1-12,15-16,20H,13-14H2
InChIKeyTYCMEZXLMYKHDM-UHFFFAOYSA-N
MW461.37 g/mol
LogP7.80
Rot. Bonds5

About 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline

7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline (PubChem CID 132563540) has the molecular formula C27H19Cl2FN2 and a molecular weight of 461.37 g/mol. Its IUPAC name is 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline
PubChem CID132563540
Molecular FormulaC27H19Cl2FN2
Molecular Weight461.37 g/mol
Exact Mass460.09
IUPAC Name7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline
SMILESFc1ccc(C(Cc2ccc3ccc(Cl)cc3n2)Cc2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C27H19Cl2FN2/c28-21-7-1-18-5-11-24(31-26(18)15-21)13-20(17-3-9-23(30)10-4-17)14-25-12-6-19-2-8-22(29)16-27(19)32-25/h1-12,15-16,20H,13-14H2
InChIKeyTYCMEZXLMYKHDM-UHFFFAOYSA-N
XLogP7.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Chloroacridine
CID 71013
3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine
CID 5288588
3-Chloro-9-acridinamine
CID 18866
7-Chloro-2-methylquinoline
CID 138395
7-Chloro-2,4-dimethylquinoline
CID 605770
Huprine X
CID 3632
Huprine Y
CID 10107976
6-Chlorotacrine
CID 10399068
6,9-Dichloro-1,2,3,4-tetrahydroacridine
CID 219664
4-Chloro-2-phenylquinoline
CID 278376
6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 9851127
N,N'-Bis-(6-chloro-1,2,3,4-tetrahydro-acridin-9-yl)-heptane-1,7-diamine
CID 9894056

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline?
The IUPAC name of 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline (CID 132563540) is 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline.
What is the SMILES notation for 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline?
The canonical SMILES for 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline is Fc1ccc(C(Cc2ccc3ccc(Cl)cc3n2)Cc2ccc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline?
The InChIKey is TYCMEZXLMYKHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2FN2/c28-21-7-1-18-5-11-24(31-26(18)15-21)13-20(17-3-9-23(30)10-4-17)14-25-12-6-19-2-8-22(29)16-27(19)32-25/h1-12,15-16,20H,13-14H2.
What are the key properties of 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline?
7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline has a molecular weight of 461.37 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline is sourced from PubChem (CID 132563540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).