4,7-dichloroquinoline

C9H5Cl2N — CID 6866

IUPAC4,7-dichloroquinoline
SMILESClc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKeyHXEWMTXDBOQQKO-UHFFFAOYSA-N
MW198.05 g/mol
LogP3.54
Rot. Bonds

About 4,7-dichloroquinoline

4,7-dichloroquinoline (PubChem CID 6866) has the molecular formula C9H5Cl2N and a molecular weight of 198.05 g/mol. Its IUPAC name is 4,7-dichloroquinoline.

Molecular Properties

Compound Name4,7-dichloroquinoline
PubChem CID6866
Molecular FormulaC9H5Cl2N
Molecular Weight198.05 g/mol
Exact Mass196.98
IUPAC Name4,7-dichloroquinoline
SMILESClc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKeyHXEWMTXDBOQQKO-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
CID 22054612
7-(2-bromoethyl)-4-chloroquinoline
CID 174461037
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
4-chloroquinoline-7-carbaldehyde;methanol
CID 166488648
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
4-chloro-N,N-dimethylquinoline-7-carboxamide
CID 67304635
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
4-chloroquinoline;ethane
CID 91461667
4,5,7-trichloroquinoline
CID 615835

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloroquinoline?
The IUPAC name of 4,7-dichloroquinoline (CID 6866) is 4,7-dichloroquinoline.
What is the SMILES notation for 4,7-dichloroquinoline?
The canonical SMILES for 4,7-dichloroquinoline is Clc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4,7-dichloroquinoline?
The InChIKey is HXEWMTXDBOQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H.
What are the key properties of 4,7-dichloroquinoline?
4,7-dichloroquinoline has a molecular weight of 198.05 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloroquinoline is sourced from PubChem (CID 6866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).