7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline

C14H14F2N2 — CID 133499902

IUPAC7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C14H14F2N2/c1-9-8-12(18-6-2-3-7-18)10-4-5-11(15)13(16)14(10)17-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFITKGVUBSIHVPV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.42
Rot. Bonds1

About 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline

7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 133499902) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID133499902
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C14H14F2N2/c1-9-8-12(18-6-2-3-7-18)10-4-5-11(15)13(16)14(10)17-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFITKGVUBSIHVPV-UHFFFAOYSA-N
XLogP3.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline
CID 91662748
2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid
CID 122062316
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
7,8-difluoro-2-methyl-N-propylquinolin-4-amine
CID 62196946
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435
2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
CID 22641342
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline (CID 133499902) is 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2ccc(F)c(F)c2n1.
What is the InChIKey of 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is FITKGVUBSIHVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-8-12(18-6-2-3-7-18)10-4-5-11(15)13(16)14(10)17-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 248.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 133499902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).