2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one

C18H16N4O — CID 22478367

IUPAC2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one
SMILESNNC1NC(=O)c2ccccc2N1c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O/c19-21-18-20-17(23)15-7-3-4-8-16(15)22(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18,21H,19H2,(H,20,23)
InChIKeyQRGSHYCXHAUNCT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.47
Rot. Bonds2

About 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one

2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one (PubChem CID 22478367) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one
PubChem CID22478367
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one
SMILESNNC1NC(=O)c2ccccc2N1c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O/c19-21-18-20-17(23)15-7-3-4-8-16(15)22(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18,21H,19H2,(H,20,23)
InChIKeyQRGSHYCXHAUNCT-UHFFFAOYSA-N
XLogP2.47
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one (CID 22478367) is 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one is NNC1NC(=O)c2ccccc2N1c1ccc2ccccc2c1.
What is the InChIKey of 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one?
The InChIKey is QRGSHYCXHAUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-21-18-20-17(23)15-7-3-4-8-16(15)22(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18,21H,19H2,(H,20,23).
What are the key properties of 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one?
2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 22478367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).