6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C19H20N6O2 — CID 135567189

IUPAC6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27)
InChIKeyRGCYFFRYXJGABS-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.57
Rot. Bonds6

About 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135567189) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135567189
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27)
InChIKeyRGCYFFRYXJGABS-UHFFFAOYSA-N
XLogP1.57
TPSA132.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135567189) is 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is RGCYFFRYXJGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27).
What are the key properties of 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 364.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135567189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).