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

C17H16N6O — CID 135566931

IUPAC6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCCc4ccccc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H16N6O/c18-16-20-12-9-14-13(8-11(12)15(24)23-16)21-17(22-14)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21,22)(H3,18,20,23,24)
InChIKeyIGMWKNNADHYQOB-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.04
Rot. Bonds4

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

6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135566931) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135566931
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCCc4ccccc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H16N6O/c18-16-20-12-9-14-13(8-11(12)15(24)23-16)21-17(22-14)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21,22)(H3,18,20,23,24)
InChIKeyIGMWKNNADHYQOB-UHFFFAOYSA-N
XLogP2.04
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one with MolForge

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Related Compounds

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6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566329
2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
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6-amino-2-((2-morpholin-4-ylethyl)amino)-3,7-dihydro-8H-imidazo(4,5-g)quinazolin-8-one
CID 135566918
6-amino-2-((thiophen-2-ylmethyl)amino)-1,7-dihydro-8H-imidazo(4,5-g)quinazolin-8-one
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6-Amino-3,7-dihydro-imidazo(4,5-G)quinazolin-8-one
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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135566931) is 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCCc4ccccc4)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is IGMWKNNADHYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-16-20-12-9-14-13(8-11(12)15(24)23-16)21-17(22-14)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21,22)(H3,18,20,23,24).
What are the key properties of 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 320.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-phenylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135566931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).