4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine

C24H28N6 — CID 155283631

IUPAC4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine
SMILESNc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4N4CCC4)CC3)c2c1
InChIInChI=1S/C24H28N6/c25-18-8-9-20-19(16-18)24(27-23(26-20)17-6-7-17)30-14-12-29(13-15-30)22-5-2-1-4-21(22)28-10-3-11-28/h1-2,4-5,8-9,16-17H,3,6-7,10-15,25H2
InChIKeyHLYDSAMAEZOPMK-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.63
Rot. Bonds4

About 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine

4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine (PubChem CID 155283631) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine.

Molecular Properties

Compound Name4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine
PubChem CID155283631
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine
SMILESNc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4N4CCC4)CC3)c2c1
InChIInChI=1S/C24H28N6/c25-18-8-9-20-19(16-18)24(27-23(26-20)17-6-7-17)30-14-12-29(13-15-30)22-5-2-1-4-21(22)28-10-3-11-28/h1-2,4-5,8-9,16-17H,3,6-7,10-15,25H2
InChIKeyHLYDSAMAEZOPMK-UHFFFAOYSA-N
XLogP3.63
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine?
The IUPAC name of 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine (CID 155283631) is 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine.
What is the SMILES notation for 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine?
The canonical SMILES for 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine is Nc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4N4CCC4)CC3)c2c1.
What is the InChIKey of 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine?
The InChIKey is HLYDSAMAEZOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c25-18-8-9-20-19(16-18)24(27-23(26-20)17-6-7-17)30-14-12-29(13-15-30)22-5-2-1-4-21(22)28-10-3-11-28/h1-2,4-5,8-9,16-17H,3,6-7,10-15,25H2.
What are the key properties of 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine?
4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine has a molecular weight of 400.53 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine is sourced from PubChem (CID 155283631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).