6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline

C18H23FN2O — CID 133369112

IUPAC6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(OCC(C)C)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H23FN2O/c1-12(2)11-22-15-6-7-21(10-15)18-8-13(3)20-17-5-4-14(19)9-16(17)18/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyICTHYTFSYNZGCM-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.93
Rot. Bonds4

About 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline

6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline (PubChem CID 133369112) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
PubChem CID133369112
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(OCC(C)C)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H23FN2O/c1-12(2)11-22-15-6-7-21(10-15)18-8-13(3)20-17-5-4-14(19)9-16(17)18/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyICTHYTFSYNZGCM-UHFFFAOYSA-N
XLogP3.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
CID 133368681
6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388694
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 155914575
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
4-(6-fluoro-2-methylquinolin-4-yl)-2-(furan-2-yl)morpholine
CID 133368875
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 167968989
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline (CID 133369112) is 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline is Cc1cc(N2CCC(OCC(C)C)C2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline?
The InChIKey is ICTHYTFSYNZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-12(2)11-22-15-6-7-21(10-15)18-8-13(3)20-17-5-4-14(19)9-16(17)18/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline?
6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline has a molecular weight of 302.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 133369112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).