1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol

C20H29N5O4 — CID 137098214

About 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol (PubChem CID 137098214) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
• PubChem CID: 137098214
• Molecular Formula: C20H29N5O4
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.22
• IUPAC Name: 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol
• SMILES: [H]/N=c1\nc2c(OC)c(OCC(O)CN3CC(C)OC(C)C3)ccc2c2n1CCN2
• InChI: InChI=1S/C20H29N5O4/c1-12-8-24(9-13(2)29-12)10-14(26)11-28-16-5-4-15-17(18(16)27-3)23-20(21)25-7-6-22-19(15)25/h4-5,12-14,21-22,26H,6-11H2,1-3H3/b21-20+
• InChIKey: VIYWXRDWQAKQGW-QZQOTICOSA-N
• XLogP: 0.80
• TPSA: 104.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?

The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol (CID 137098214) is 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol.

What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?

The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol is [H]/N=c1\nc2c(OC)c(OCC(O)CN3CC(C)OC(C)C3)ccc2c2n1CCN2.

What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?

The InChIKey is VIYWXRDWQAKQGW-QZQOTICOSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-12-8-24(9-13(2)29-12)10-14(26)11-28-16-5-4-15-17(18(16)27-3)23-20(21)25-7-6-22-19(15)25/h4-5,12-14,21-22,26H,6-11H2,1-3H3/b21-20+.

What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol?

1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol has a molecular weight of 403.48 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-imino-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl)oxy]propan-2-ol is sourced from PubChem (CID 137098214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).