2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one

C25H18N6O2 — CID 20604146

IUPAC2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one
SMILESCc1cc(Nc2nc(Nc3ccc4oc(=O)c5ccccc5c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H18N6O2/c1-14-12-22(31-30-14)28-23-18-8-4-5-9-20(18)27-25(29-23)26-15-10-11-21-19(13-15)16-6-2-3-7-17(16)24(32)33-21/h2-13H,1H3,(H3,26,27,28,29,30,31)
InChIKeyRPRTYEJZXZJMAV-UHFFFAOYSA-N
MW434.46 g/mol
LogP5.41
Rot. Bonds4

About 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one

2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one (PubChem CID 20604146) has the molecular formula C25H18N6O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one.

Molecular Properties

Compound Name2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one
PubChem CID20604146
Molecular FormulaC25H18N6O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC Name2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one
SMILESCc1cc(Nc2nc(Nc3ccc4oc(=O)c5ccccc5c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H18N6O2/c1-14-12-22(31-30-14)28-23-18-8-4-5-9-20(18)27-25(29-23)26-15-10-11-21-19(13-15)16-6-2-3-7-17(16)24(32)33-21/h2-13H,1H3,(H3,26,27,28,29,30,31)
InChIKeyRPRTYEJZXZJMAV-UHFFFAOYSA-N
XLogP5.41
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one 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 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one?
The IUPAC name of 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one (CID 20604146) is 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one.
What is the SMILES notation for 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one?
The canonical SMILES for 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one is Cc1cc(Nc2nc(Nc3ccc4oc(=O)c5ccccc5c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one?
The InChIKey is RPRTYEJZXZJMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2/c1-14-12-22(31-30-14)28-23-18-8-4-5-9-20(18)27-25(29-23)26-15-10-11-21-19(13-15)16-6-2-3-7-17(16)24(32)33-21/h2-13H,1H3,(H3,26,27,28,29,30,31).
What are the key properties of 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one?
2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one has a molecular weight of 434.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzo[c]chromen-6-one is sourced from PubChem (CID 20604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).