8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C23H19N5O2 — CID 137058095

IUPAC8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESNCc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1ccc(N)cc12
InChIInChI=1S/C23H19N5O2/c24-13-19-21(14-6-9-17(10-7-14)30-16-4-2-1-3-5-16)27-28-20-12-15(25)8-11-18(20)23(29)26-22(19)28/h1-12H,13,24-25H2,(H,26,29)
InChIKeyGCZSLBYLJDMPQU-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.68
Rot. Bonds4

About 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 137058095) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID137058095
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESNCc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1ccc(N)cc12
InChIInChI=1S/C23H19N5O2/c24-13-19-21(14-6-9-17(10-7-14)30-16-4-2-1-3-5-16)27-28-20-12-15(25)8-11-18(20)23(29)26-22(19)28/h1-12H,13,24-25H2,(H,26,29)
InChIKeyGCZSLBYLJDMPQU-UHFFFAOYSA-N
XLogP3.68
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
3-fluoro-4-(4-phenoxyphenyl)aniline
CID 65437775
4-phenoxyaniline
CID 158390066
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane
CID 158266737
3-phenyl-1H-indazol-6-amine
CID 18616705
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
(3R)-3-[5-amino-4-(aminomethyl)-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carbonitrile
CID 126541005
(7R)-7-(3-aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228120
7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142799095

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 137058095) is 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is NCc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1ccc(N)cc12.
What is the InChIKey of 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is GCZSLBYLJDMPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-13-19-21(14-6-9-17(10-7-14)30-16-4-2-1-3-5-16)27-28-20-12-15(25)8-11-18(20)23(29)26-22(19)28/h1-12H,13,24-25H2,(H,26,29).
What are the key properties of 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 397.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 137058095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).