4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine

C16H26N4O2 — CID 118739063

IUPAC4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
SMILESc1nc2n(c1CN1CCOCC1)CCN(C1CCOC1)CC2
InChIInChI=1S/C16H26N4O2/c1-3-19(14-2-8-22-13-14)4-5-20-15(11-17-16(1)20)12-18-6-9-21-10-7-18/h11,14H,1-10,12-13H2
InChIKeyATZKLZFWIRDSEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.36
Rot. Bonds3

About 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine

4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine (PubChem CID 118739063) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
PubChem CID118739063
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
SMILESc1nc2n(c1CN1CCOCC1)CCN(C1CCOC1)CC2
InChIInChI=1S/C16H26N4O2/c1-3-19(14-2-8-22-13-14)4-5-20-15(11-17-16(1)20)12-18-6-9-21-10-7-18/h11,14H,1-10,12-13H2
InChIKeyATZKLZFWIRDSEJ-UHFFFAOYSA-N
XLogP0.36
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine (CID 118739063) is 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine is c1nc2n(c1CN1CCOCC1)CCN(C1CCOC1)CC2.
What is the InChIKey of 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The InChIKey is ATZKLZFWIRDSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-19(14-2-8-22-13-14)4-5-20-15(11-17-16(1)20)12-18-6-9-21-10-7-18/h11,14H,1-10,12-13H2.
What are the key properties of 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine has a molecular weight of 306.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine is sourced from PubChem (CID 118739063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).