2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C15H19N6O2+ — CID 137160091

IUPAC2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3nc(NCC[NH+]4CCOCC4)[nH]c3cc12
InChIInChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)/p+1
InChIKeyIQPSZZDLHUVVGO-UHFFFAOYSA-O
MW315.36 g/mol
LogP-0.87
Rot. Bonds4

About 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 137160091) has the molecular formula C15H19N6O2+ and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID137160091
Molecular FormulaC15H19N6O2+
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3nc(NCC[NH+]4CCOCC4)[nH]c3cc12
InChIInChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)/p+1
InChIKeyIQPSZZDLHUVVGO-UHFFFAOYSA-O
XLogP-0.87
TPSA100.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 137160091) is 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is O=c1[nH]cnc2cc3nc(NCC[NH+]4CCOCC4)[nH]c3cc12.
What is the InChIKey of 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is IQPSZZDLHUVVGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)/p+1.
What are the key properties of 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 315.36 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ium-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 137160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).