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

C17H15N5O — CID 135438475

IUPAC6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2c(CCc3ccccc3)c3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKeyPBZAIUVFRISTSZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.17
Rot. Bonds3

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

6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135438475) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135438475
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2c(CCc3ccccc3)c3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKeyPBZAIUVFRISTSZ-UHFFFAOYSA-N
XLogP2.17
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135438475) is 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2c(CCc3ccccc3)c3nc[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is PBZAIUVFRISTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23).
What are the key properties of 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 305.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135438475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).