1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone

C22H21FN2O — CID 86780789

IUPAC1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1Cc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O/c23-19-10-8-16(9-11-19)21(26)14-20-7-3-13-25(20)15-18-5-1-4-17-6-2-12-24-22(17)18/h1-2,4-6,8-12,20H,3,7,13-15H2
InChIKeyIQONXZGKSQNZAH-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone (PubChem CID 86780789) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone
PubChem CID86780789
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1Cc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O/c23-19-10-8-16(9-11-19)21(26)14-20-7-3-13-25(20)15-18-5-1-4-17-6-2-12-24-22(17)18/h1-2,4-6,8-12,20H,3,7,13-15H2
InChIKeyIQONXZGKSQNZAH-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371323
3-[[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]methyl]benzamide
CID 97011036
8-[[2-(2-bromoethyl)piperidin-1-yl]methyl]quinoline
CID 80671467
(3aR,8aR)-4-[(4-fluorophenyl)methyl]-1-(quinolin-8-ylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-pyrrolo[3,2-b]azepin-5-one
CID 110136746
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
2-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97083981
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199
2-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320679
2-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanone
CID 124735960
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 66413596

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone (CID 86780789) is 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone is O=C(CC1CCCN1Cc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone?
The InChIKey is IQONXZGKSQNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-19-10-8-16(9-11-19)21(26)14-20-7-3-13-25(20)15-18-5-1-4-17-6-2-12-24-22(17)18/h1-2,4-6,8-12,20H,3,7,13-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone has a molecular weight of 348.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 86780789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).