pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone

C19H22N4O2 — CID 95723967

IUPACpyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
SMILESO=C([C@@H]1CNCCN1C(=O)c1cnc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H22N4O2/c24-18(15-11-14-5-1-2-6-16(14)21-12-15)23-10-7-20-13-17(23)19(25)22-8-3-4-9-22/h1-2,5-6,11-12,17,20H,3-4,7-10,13H2/t17-/m0/s1
InChIKeyKBWNFSJDZCCNFH-KRWDZBQOSA-N
MW338.41 g/mol
LogP1.27
Rot. Bonds2

About pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone

pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone (PubChem CID 95723967) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
PubChem CID95723967
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namepyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
SMILESO=C([C@@H]1CNCCN1C(=O)c1cnc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H22N4O2/c24-18(15-11-14-5-1-2-6-16(14)21-12-15)23-10-7-20-13-17(23)19(25)22-8-3-4-9-22/h1-2,5-6,11-12,17,20H,3-4,7-10,13H2/t17-/m0/s1
InChIKeyKBWNFSJDZCCNFH-KRWDZBQOSA-N
XLogP1.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone
CID 56894793
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95728739
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
CID 129488364
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-3-ylmethanone
CID 70737092

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone (CID 95723967) is pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone is O=C([C@@H]1CNCCN1C(=O)c1cnc2ccccc2c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone?
The InChIKey is KBWNFSJDZCCNFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(15-11-14-5-1-2-6-16(14)21-12-15)23-10-7-20-13-17(23)19(25)22-8-3-4-9-22/h1-2,5-6,11-12,17,20H,3-4,7-10,13H2/t17-/m0/s1.
What are the key properties of pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone?
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone is sourced from PubChem (CID 95723967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).