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

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Related Compounds

N-tert-butyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749636
N,N-dimethyl-6-phenyl-2-pyrazol-1-ylquinazolin-4-amine
CID 118000646
N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749329
N,N-dimethyl-6-propan-2-yl-2-pyrazol-1-ylquinazolin-4-amine
CID 66749760
2-ethyl-6-phenoxyquinolin-4-amine
CID 62196105
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277498
2-ethyl-6-phenoxyquinazolin-4-amine
CID 106584239
5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
CID 169273680
2-(methoxymethyl)-6-phenoxyquinolin-4-amine
CID 62318979
2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
CID 82251171
N,N-diethyl-6,7-dimethoxy-3-phenoxyquinolin-2-amine
CID 134913603

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).