N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine

C21H21N5O — CID 118000652

IUPACN,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
SMILESCCN(CC)c1nc(-n2cccn2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H21N5O/c1-3-25(4-2)20-18-15-17(27-16-9-6-5-7-10-16)11-12-19(18)23-21(24-20)26-14-8-13-22-26/h5-15H,3-4H2,1-2H3
InChIKeyPEPPJVPJJCMFPD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.45
Rot. Bonds6

About N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine

N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine (PubChem CID 118000652) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
PubChem CID118000652
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
SMILESCCN(CC)c1nc(-n2cccn2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H21N5O/c1-3-25(4-2)20-18-15-17(27-16-9-6-5-7-10-16)11-12-19(18)23-21(24-20)26-14-8-13-22-26/h5-15H,3-4H2,1-2H3
InChIKeyPEPPJVPJJCMFPD-UHFFFAOYSA-N
XLogP4.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The IUPAC name of N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine (CID 118000652) is N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine.
What is the SMILES notation for N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The canonical SMILES for N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine is CCN(CC)c1nc(-n2cccn2)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The InChIKey is PEPPJVPJJCMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-25(4-2)20-18-15-17(27-16-9-6-5-7-10-16)11-12-19(18)23-21(24-20)26-14-8-13-22-26/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine is sourced from PubChem (CID 118000652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).