4-spiro[2.3]hexan-2-ylquinazolin-2-amine

C14H15N3 — CID 167326609

IUPAC4-spiro[2.3]hexan-2-ylquinazolin-2-amine
SMILESNc1nc(C2CC23CCC3)c2ccccc2n1
InChIInChI=1S/C14H15N3/c15-13-16-11-5-2-1-4-9(11)12(17-13)10-8-14(10)6-3-7-14/h1-2,4-5,10H,3,6-8H2,(H2,15,16,17)
InChIKeyBBJNIORLCXQWBB-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.87
Rot. Bonds1

About 4-spiro[2.3]hexan-2-ylquinazolin-2-amine

4-spiro[2.3]hexan-2-ylquinazolin-2-amine (PubChem CID 167326609) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-spiro[2.3]hexan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name4-spiro[2.3]hexan-2-ylquinazolin-2-amine
PubChem CID167326609
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-spiro[2.3]hexan-2-ylquinazolin-2-amine
SMILESNc1nc(C2CC23CCC3)c2ccccc2n1
InChIInChI=1S/C14H15N3/c15-13-16-11-5-2-1-4-9(11)12(17-13)10-8-14(10)6-3-7-14/h1-2,4-5,10H,3,6-8H2,(H2,15,16,17)
InChIKeyBBJNIORLCXQWBB-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[2.3]hexan-2-ylquinazolin-2-amine?
The IUPAC name of 4-spiro[2.3]hexan-2-ylquinazolin-2-amine (CID 167326609) is 4-spiro[2.3]hexan-2-ylquinazolin-2-amine.
What is the SMILES notation for 4-spiro[2.3]hexan-2-ylquinazolin-2-amine?
The canonical SMILES for 4-spiro[2.3]hexan-2-ylquinazolin-2-amine is Nc1nc(C2CC23CCC3)c2ccccc2n1.
What is the InChIKey of 4-spiro[2.3]hexan-2-ylquinazolin-2-amine?
The InChIKey is BBJNIORLCXQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-13-16-11-5-2-1-4-9(11)12(17-13)10-8-14(10)6-3-7-14/h1-2,4-5,10H,3,6-8H2,(H2,15,16,17).
What are the key properties of 4-spiro[2.3]hexan-2-ylquinazolin-2-amine?
4-spiro[2.3]hexan-2-ylquinazolin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[2.3]hexan-2-ylquinazolin-2-amine is sourced from PubChem (CID 167326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).