N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C19H22N4 — CID 8890756

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCCC3=CCCCC3)c3ccccc3n2n1
InChIInChI=1S/C19H22N4/c1-14-13-18-21-19(20-12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(18)22-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,21)
InChIKeyZHZFNIRSPOGPNB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.49
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8890756) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8890756
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCCC3=CCCCC3)c3ccccc3n2n1
InChIInChI=1S/C19H22N4/c1-14-13-18-21-19(20-12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(18)22-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,21)
InChIKeyZHZFNIRSPOGPNB-UHFFFAOYSA-N
XLogP4.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 8890756) is N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NCCC3=CCCCC3)c3ccccc3n2n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is ZHZFNIRSPOGPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-13-18-21-19(20-12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(18)22-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 306.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8890756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).