(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide

C22H25N7O — CID 137294777

IUPAC(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide
SMILESCOCCN/C=C\C(N)=N/c1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2
InChIInChI=1S/C22H25N7O/c1-29-21(15-6-4-3-5-7-15)19-17(28-29)9-8-16-14-25-22(27-20(16)19)26-18(23)10-11-24-12-13-30-2/h3-7,10-11,14,24H,8-9,12-13H2,1-2H3,(H2,23,25,26,27)/b11-10-
InChIKeyOHWMFLQGESAXQS-KHPPLWFESA-N
MW403.49 g/mol
LogP2.38
Rot. Bonds7

About (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide

(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide (PubChem CID 137294777) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide
PubChem CID137294777
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide
SMILESCOCCN/C=C\C(N)=N/c1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2
InChIInChI=1S/C22H25N7O/c1-29-21(15-6-4-3-5-7-15)19-17(28-29)9-8-16-14-25-22(27-20(16)19)26-18(23)10-11-24-12-13-30-2/h3-7,10-11,14,24H,8-9,12-13H2,1-2H3,(H2,23,25,26,27)/b11-10-
InChIKeyOHWMFLQGESAXQS-KHPPLWFESA-N
XLogP2.38
TPSA103.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide 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 (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide?
The IUPAC name of (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide (CID 137294777) is (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide?
The canonical SMILES for (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide is COCCN/C=C\C(N)=N/c1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2.
What is the InChIKey of (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide?
The InChIKey is OHWMFLQGESAXQS-KHPPLWFESA-N. The full InChI is InChI=1S/C22H25N7O/c1-29-21(15-6-4-3-5-7-15)19-17(28-29)9-8-16-14-25-22(27-20(16)19)26-18(23)10-11-24-12-13-30-2/h3-7,10-11,14,24H,8-9,12-13H2,1-2H3,(H2,23,25,26,27)/b11-10-.
What are the key properties of (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide?
(Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide has a molecular weight of 403.49 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyethylamino)-N'-(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)prop-2-enimidamide is sourced from PubChem (CID 137294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).