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

C16H21N6O+ — CID 137160090

IUPAC2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3nc(NCC[NH+]4CCCCC4)[nH]c3cc12
InChIInChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)/p+1
InChIKeyNFLZHTAOFKJMSG-UHFFFAOYSA-O
MW313.38 g/mol
LogP0.28
Rot. Bonds4

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

2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 137160090) has the molecular formula C16H21N6O+ and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID137160090
Molecular FormulaC16H21N6O+
Molecular Weight313.38 g/mol
Exact Mass313.18
IUPAC Name2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3nc(NCC[NH+]4CCCCC4)[nH]c3cc12
InChIInChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)/p+1
InChIKeyNFLZHTAOFKJMSG-UHFFFAOYSA-O
XLogP0.28
TPSA90.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 137160090) is 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is O=c1[nH]cnc2cc3nc(NCC[NH+]4CCCCC4)[nH]c3cc12.
What is the InChIKey of 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is NFLZHTAOFKJMSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)/p+1.
What are the key properties of 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 313.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ium-1-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 137160090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).