2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H30N6O2 — CID 126914958

IUPAC2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cnc4n3CCOC4)CC1)CCCC2
InChIInChI=1S/C21H30N6O2/c28-21-13-17-3-1-2-4-19(17)23-27(21)10-9-24-5-7-25(8-6-24)15-18-14-22-20-16-29-12-11-26(18)20/h13-14H,1-12,15-16H2
InChIKeyOWBIJWIOWOQCDF-UHFFFAOYSA-N
MW398.51 g/mol
LogP0.67
Rot. Bonds5

About 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126914958) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126914958
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cnc4n3CCOC4)CC1)CCCC2
InChIInChI=1S/C21H30N6O2/c28-21-13-17-3-1-2-4-19(17)23-27(21)10-9-24-5-7-25(8-6-24)15-18-14-22-20-16-29-12-11-26(18)20/h13-14H,1-12,15-16H2
InChIKeyOWBIJWIOWOQCDF-UHFFFAOYSA-N
XLogP0.67
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[2-[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914546
2-[2-[4-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915031
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968
2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915022
2-[2-[4-[(3-cyclopropylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914611
2-[2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914897
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
2-[2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915027
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915041
4-[[4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 126914888
2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914549

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126914958) is 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CCN1CCN(Cc3cnc4n3CCOC4)CC1)CCCC2.
What is the InChIKey of 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is OWBIJWIOWOQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c28-21-13-17-3-1-2-4-19(17)23-27(21)10-9-24-5-7-25(8-6-24)15-18-14-22-20-16-29-12-11-26(18)20/h13-14H,1-12,15-16H2.
What are the key properties of 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 398.51 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126914958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).