9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one

C17H16N4O — CID 13035742

IUPAC9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESNc1ccc2c(c1)C1=NCCN1C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H16N4O/c18-13-6-7-15-14(10-13)16-19-8-9-20(16)17(22)21(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyZYOGPSALNDLKOM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.47
Rot. Bonds2

About 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one

9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (PubChem CID 13035742) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
PubChem CID13035742
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESNc1ccc2c(c1)C1=NCCN1C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H16N4O/c18-13-6-7-15-14(10-13)16-19-8-9-20(16)17(22)21(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyZYOGPSALNDLKOM-UHFFFAOYSA-N
XLogP2.47
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (CID 13035742) is 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is Nc1ccc2c(c1)C1=NCCN1C(=O)N2Cc1ccccc1.
What is the InChIKey of 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The InChIKey is ZYOGPSALNDLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-13-6-7-15-14(10-13)16-19-8-9-20(16)17(22)21(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2.
What are the key properties of 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one has a molecular weight of 292.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 13035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).