4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline

C18H20FN3 — CID 133368181

IUPAC4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
SMILESCc1cc(N2CCC(N3CC=CC3)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H20FN3/c1-13-10-18(16-11-14(19)4-5-17(16)20-13)22-9-6-15(12-22)21-7-2-3-8-21/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyDOTGVXCGWVSODY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.13
Rot. Bonds2

About 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline

4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline (PubChem CID 133368181) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
PubChem CID133368181
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
SMILESCc1cc(N2CCC(N3CC=CC3)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H20FN3/c1-13-10-18(16-11-14(19)4-5-17(16)20-13)22-9-6-15(12-22)21-7-2-3-8-21/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyDOTGVXCGWVSODY-UHFFFAOYSA-N
XLogP3.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
CID 133369112
4-(6-fluoro-2-methylquinolin-4-yl)-2-(furan-2-yl)morpholine
CID 133368875
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388694
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-phenylthiourea
CID 118729694
5-[4-(6-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368174
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
CID 133368681
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
1-(6-amino-2-methylquinolin-4-yl)-3-methylpiperidin-4-ol
CID 114677705
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline?
The IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline (CID 133368181) is 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline.
What is the SMILES notation for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline?
The canonical SMILES for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline is Cc1cc(N2CCC(N3CC=CC3)C2)c2cc(F)ccc2n1.
What is the InChIKey of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline?
The InChIKey is DOTGVXCGWVSODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-13-10-18(16-11-14(19)4-5-17(16)20-13)22-9-6-15(12-22)21-7-2-3-8-21/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline?
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline has a molecular weight of 297.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline is sourced from PubChem (CID 133368181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).