[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone

C32H36N6O2 — CID 46899640

IUPAC[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1
InChIInChI=1S/C32H36N6O2/c1-23-11-12-25-26(34-23)8-6-9-27(25)36-19-17-35(18-20-36)16-13-24-7-5-10-28-31(24)40-21-29-30(33-22-38(28)29)32(39)37-14-3-2-4-15-37/h5-12,22H,2-4,13-21H2,1H3
InChIKeyCSKHOLSVNNTGRJ-UHFFFAOYSA-N
MW536.68 g/mol
LogP4.61
Rot. Bonds5

About [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone

[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 46899640) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone
PubChem CID46899640
Molecular FormulaC32H36N6O2
Molecular Weight536.68 g/mol
Exact Mass536.29
IUPAC Name[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1
InChIInChI=1S/C32H36N6O2/c1-23-11-12-25-26(34-23)8-6-9-27(25)36-19-17-35(18-20-36)16-13-24-7-5-10-28-31(24)40-21-29-30(33-22-38(28)29)32(39)37-14-3-2-4-15-37/h5-12,22H,2-4,13-21H2,1H3
InChIKeyCSKHOLSVNNTGRJ-UHFFFAOYSA-N
XLogP4.61
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.68
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

Gsk-588045
CID 11655728
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 11712756
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone
CID 11720815
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-pyrrolidin-1-ylmethanone
CID 46899639
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900453
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylate
CID 46900610
1-(6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl)ethanone
CID 46900612

Frequently Asked Questions

What is the IUPAC name of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone (CID 46899640) is [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone is Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCCCC6)ncn4-5)CC3)cccc2n1.
What is the InChIKey of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CSKHOLSVNNTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2/c1-23-11-12-25-26(34-23)8-6-9-27(25)36-19-17-35(18-20-36)16-13-24-7-5-10-28-31(24)40-21-29-30(33-22-38(28)29)32(39)37-14-3-2-4-15-37/h5-12,22H,2-4,13-21H2,1H3.
What are the key properties of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone?
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 536.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46899640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).