6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C20H16N6O — CID 135566329

IUPAC6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4cccc5ccccc45)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)
InChIKeyMCEZMMDIEXECTI-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.15
Rot. Bonds3

About 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135566329) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135566329
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4cccc5ccccc45)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)
InChIKeyMCEZMMDIEXECTI-UHFFFAOYSA-N
XLogP3.15
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135566329) is 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCc4cccc5ccccc45)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is MCEZMMDIEXECTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27).
What are the key properties of 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 356.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135566329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).