[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine

C16H15N5 — CID 80902799

IUPAC[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
SMILESNNc1nc(N2Cc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C16H15N5/c17-20-16-18-14-8-4-3-7-13(14)15(19-16)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10,17H2,(H,18,19,20)
InChIKeyMJYJMDBBWPPEAQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.44
Rot. Bonds2

About [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine

[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine (PubChem CID 80902799) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
PubChem CID80902799
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
SMILESNNc1nc(N2Cc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C16H15N5/c17-20-16-18-14-8-4-3-7-13(14)15(19-16)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10,17H2,(H,18,19,20)
InChIKeyMJYJMDBBWPPEAQ-UHFFFAOYSA-N
XLogP2.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine (CID 80902799) is [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine is NNc1nc(N2Cc3ccccc3C2)c2ccccc2n1.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine?
The InChIKey is MJYJMDBBWPPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-20-16-18-14-8-4-3-7-13(14)15(19-16)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10,17H2,(H,18,19,20).
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine?
[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine has a molecular weight of 277.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).