1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H29N5O2 — CID 136542936

IUPAC1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCN(c3ccnc4ccccc34)CC2)CC1=O
InChIInChI=1S/C22H29N5O2/c1-24(2)9-10-27-16-17(15-21(27)28)22(29)26-13-11-25(12-14-26)20-7-8-23-19-6-4-3-5-18(19)20/h3-8,17H,9-16H2,1-2H3
InChIKeyGBAMGMKTJJBYRA-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.29
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 136542936) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID136542936
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCN(c3ccnc4ccccc34)CC2)CC1=O
InChIInChI=1S/C22H29N5O2/c1-24(2)9-10-27-16-17(15-21(27)28)22(29)26-13-11-25(12-14-26)20-7-8-23-19-6-4-3-5-18(19)20/h3-8,17H,9-16H2,1-2H3
InChIKeyGBAMGMKTJJBYRA-UHFFFAOYSA-N
XLogP1.29
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
1-[3-(dimethylamino)propyl]-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809946
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 136542936) is 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2CCN(c3ccnc4ccccc34)CC2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GBAMGMKTJJBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-24(2)9-10-27-16-17(15-21(27)28)22(29)26-13-11-25(12-14-26)20-7-8-23-19-6-4-3-5-18(19)20/h3-8,17H,9-16H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 395.51 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 136542936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).