6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline

C13H11ClF2N2 — CID 163351362

IUPAC6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
SMILESFC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2
InChIKeyJFFPSSGIKSUJHU-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.73
Rot. Bonds1

About 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline

6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline (PubChem CID 163351362) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
PubChem CID163351362
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
SMILESFC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2
InChIKeyJFFPSSGIKSUJHU-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
5-chloro-1-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-amine
CID 5297702
2-Chloro-5-methylindolo[2,3-b]quinoline
CID 42637230
2-(6-Chloro-4-methylquinolin-2-yl)guanidine
CID 9942758
6-Chloro-2-(4-cyclopropyl-piperazin-1-yl)-quinoline
CID 11279886
4-Quinazolinamine, 2-chloro-N-(4-chlorophenyl)-N-methyl-
CID 11312741
6-Chloro-2-(4-methyl-piperazinyl)-quinoline
CID 12741697
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
CID 71575835
4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine
CID 135879750
4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]butan-1-amine
CID 136244281
6-chloro-N,N-dimethyl-4-phenylquinazolin-2-amine
CID 873721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The IUPAC name of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline (CID 163351362) is 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The canonical SMILES for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline is FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1.
What is the InChIKey of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The InChIKey is JFFPSSGIKSUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2.
What are the key properties of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline has a molecular weight of 268.69 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline is sourced from PubChem (CID 163351362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).