N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine

C21H22N4O — CID 73334170

IUPACN,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccccc3)cnn2c2ccccc12
InChIInChI=1S/C21H22N4O/c1-24(2)13-8-14-26-21-17-11-6-7-12-19(17)25-20(23-21)18(15-22-25)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyKGYDBWWYBXNMOT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.88
Rot. Bonds6

About N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine

N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine (PubChem CID 73334170) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine
PubChem CID73334170
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccccc3)cnn2c2ccccc12
InChIInChI=1S/C21H22N4O/c1-24(2)13-8-14-26-21-17-11-6-7-12-19(17)25-20(23-21)18(15-22-25)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyKGYDBWWYBXNMOT-UHFFFAOYSA-N
XLogP3.88
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine (CID 73334170) is N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine is CN(C)CCCOc1nc2c(-c3ccccc3)cnn2c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine?
The InChIKey is KGYDBWWYBXNMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(2)13-8-14-26-21-17-11-6-7-12-19(17)25-20(23-21)18(15-22-25)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine?
N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine has a molecular weight of 346.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxypropan-1-amine is sourced from PubChem (CID 73334170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).