6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline

C21H28FN3O — CID 133368472

IUPAC6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(OCCN3CCCC3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C21H28FN3O/c1-16-14-21(19-15-17(22)4-5-20(19)23-16)25-10-6-18(7-11-25)26-13-12-24-8-2-3-9-24/h4-5,14-15,18H,2-3,6-13H2,1H3
InChIKeyNLVHOHDTOVCRSJ-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.76
Rot. Bonds5

About 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline

6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline (PubChem CID 133368472) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
PubChem CID133368472
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(OCCN3CCCC3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C21H28FN3O/c1-16-14-21(19-15-17(22)4-5-20(19)23-16)25-10-6-18(7-11-25)26-13-12-24-8-2-3-9-24/h4-5,14-15,18H,2-3,6-13H2,1H3
InChIKeyNLVHOHDTOVCRSJ-UHFFFAOYSA-N
XLogP3.76
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
CID 133369112
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
5-[4-(6-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368174
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
CID 133368681
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-phenylthiourea
CID 118729694
3-ethyl-5-[4-(6-fluoro-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133368413
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388694
7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641395

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline (CID 133368472) is 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline is Cc1cc(N2CCC(OCCN3CCCC3)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline?
The InChIKey is NLVHOHDTOVCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-16-14-21(19-15-17(22)4-5-20(19)23-16)25-10-6-18(7-11-25)26-13-12-24-8-2-3-9-24/h4-5,14-15,18H,2-3,6-13H2,1H3.
What are the key properties of 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline?
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline has a molecular weight of 357.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline is sourced from PubChem (CID 133368472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).