7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one

C21H27N5O — CID 156596361

IUPAC7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCN(c4ncc(C)n4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27)
InChIKeyVOQRBLKAJQZWAI-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds4

About 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one

7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one (PubChem CID 156596361) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
PubChem CID156596361
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCN(c4ncc(C)n4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27)
InChIKeyVOQRBLKAJQZWAI-UHFFFAOYSA-N
XLogP2.45
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The IUPAC name of 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one (CID 156596361) is 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one is CCc1cc2ccc(CN3CCN(c4ncc(C)n4C)CC3)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The InChIKey is VOQRBLKAJQZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27).
What are the key properties of 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one?
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 156596361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).