4,5,8-trichloro-2-cyclopropylquinoline

C12H8Cl3N — CID 63408649

IUPAC4,5,8-trichloro-2-cyclopropylquinoline
SMILESClc1ccc(Cl)c2c(Cl)cc(C3CC3)nc12
InChIInChI=1S/C12H8Cl3N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2
InChIKeyZIVZZWJXZAAKRH-UHFFFAOYSA-N
MW272.56 g/mol
LogP5.07
Rot. Bonds1

About 4,5,8-trichloro-2-cyclopropylquinoline

4,5,8-trichloro-2-cyclopropylquinoline (PubChem CID 63408649) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 4,5,8-trichloro-2-cyclopropylquinoline.

Molecular Properties

Compound Name4,5,8-trichloro-2-cyclopropylquinoline
PubChem CID63408649
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name4,5,8-trichloro-2-cyclopropylquinoline
SMILESClc1ccc(Cl)c2c(Cl)cc(C3CC3)nc12
InChIInChI=1S/C12H8Cl3N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2
InChIKeyZIVZZWJXZAAKRH-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.56
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4,8-dichloro-2-cyclopropylquinoline
CID 63408960
(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine
CID 63358069
5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
CID 102854761
4-chloro-2-cyclopropylquinoline
CID 63357870
5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
CID 60984950
8-chloro-2-cyclopropyl-N-methylquinolin-4-amine
CID 63358201
4,7-dichloro-2-cyclopentyl-8-methylquinoline
CID 113390343
6,8-dibromo-4-chloro-2-cyclopropylquinoline
CID 63409162
8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
CID 107628758
(5-chloro-2-cyclopentyl-8-methylquinolin-4-yl)hydrazine
CID 113390603
(7-chloro-2-cyclopropyl-8-methylquinolin-4-yl)methanamine
CID 84632655
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315

Frequently Asked Questions

What is the IUPAC name of 4,5,8-trichloro-2-cyclopropylquinoline?
The IUPAC name of 4,5,8-trichloro-2-cyclopropylquinoline (CID 63408649) is 4,5,8-trichloro-2-cyclopropylquinoline.
What is the SMILES notation for 4,5,8-trichloro-2-cyclopropylquinoline?
The canonical SMILES for 4,5,8-trichloro-2-cyclopropylquinoline is Clc1ccc(Cl)c2c(Cl)cc(C3CC3)nc12.
What is the InChIKey of 4,5,8-trichloro-2-cyclopropylquinoline?
The InChIKey is ZIVZZWJXZAAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4,5,8-trichloro-2-cyclopropylquinoline?
4,5,8-trichloro-2-cyclopropylquinoline has a molecular weight of 272.56 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trichloro-2-cyclopropylquinoline is sourced from PubChem (CID 63408649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).