8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one

C16H16N4O — CID 3238269

IUPAC8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one
SMILESCc1ccc2nc3ccc(N4CCCC4)nn3c(=O)c2c1
InChIInChI=1S/C16H16N4O/c1-11-4-5-13-12(10-11)16(21)20-14(17-13)6-7-15(18-20)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3
InChIKeyHAPVMTUGLDBQDX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.15
Rot. Bonds1

About 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one

8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one (PubChem CID 3238269) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one
PubChem CID3238269
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one
SMILESCc1ccc2nc3ccc(N4CCCC4)nn3c(=O)c2c1
InChIInChI=1S/C16H16N4O/c1-11-4-5-13-12(10-11)16(21)20-14(17-13)6-7-15(18-20)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3
InChIKeyHAPVMTUGLDBQDX-UHFFFAOYSA-N
XLogP2.15
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one (CID 3238269) is 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one is Cc1ccc2nc3ccc(N4CCCC4)nn3c(=O)c2c1.
What is the InChIKey of 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one?
The InChIKey is HAPVMTUGLDBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-4-5-13-12(10-11)16(21)20-14(17-13)6-7-15(18-20)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one?
8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one has a molecular weight of 280.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pyrrolidin-1-ylpyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 3238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).