4-chloro-2-cyclopropylquinoline

C12H10ClN — CID 63357870

IUPAC4-chloro-2-cyclopropylquinoline
SMILESClc1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C12H10ClN/c13-10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyRDZHHXHHLFIHLH-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.77
Rot. Bonds1

About 4-chloro-2-cyclopropylquinoline

4-chloro-2-cyclopropylquinoline (PubChem CID 63357870) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-chloro-2-cyclopropylquinoline.

Molecular Properties

Compound Name4-chloro-2-cyclopropylquinoline
PubChem CID63357870
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name4-chloro-2-cyclopropylquinoline
SMILESClc1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C12H10ClN/c13-10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyRDZHHXHHLFIHLH-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropylquinoline?
The IUPAC name of 4-chloro-2-cyclopropylquinoline (CID 63357870) is 4-chloro-2-cyclopropylquinoline.
What is the SMILES notation for 4-chloro-2-cyclopropylquinoline?
The canonical SMILES for 4-chloro-2-cyclopropylquinoline is Clc1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-cyclopropylquinoline?
The InChIKey is RDZHHXHHLFIHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c13-10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2.
What are the key properties of 4-chloro-2-cyclopropylquinoline?
4-chloro-2-cyclopropylquinoline has a molecular weight of 203.67 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropylquinoline is sourced from PubChem (CID 63357870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).