2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one

C17H18N4O — CID 6623759

IUPAC2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one
SMILESCC1CCCN(c2ccc3nc4ccccc4c(=O)n3n2)C1
InChIInChI=1S/C17H18N4O/c1-12-5-4-10-20(11-12)16-9-8-15-18-14-7-3-2-6-13(14)17(22)21(15)19-16/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyGPVJMZRQOFDNNN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.48
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one

2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one (PubChem CID 6623759) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one
PubChem CID6623759
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one
SMILESCC1CCCN(c2ccc3nc4ccccc4c(=O)n3n2)C1
InChIInChI=1S/C17H18N4O/c1-12-5-4-10-20(11-12)16-9-8-15-18-14-7-3-2-6-13(14)17(22)21(15)19-16/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyGPVJMZRQOFDNNN-UHFFFAOYSA-N
XLogP2.48
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.48
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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Related Compounds

Methaqualone
CID 6292
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
11H-Pyrido(2,1-b)quinazolin-11-one
CID 68478
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
3-Ethyl-4-quinazolinone
CID 63385
2,3-Dimethyl-4(3H)-quinazolinone
CID 64018
3-amino-2-methylquinazolin-4(3H)-one
CID 237591
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
(E)-3-benzylidene-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
CID 6514539

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one (CID 6623759) is 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one is CC1CCCN(c2ccc3nc4ccccc4c(=O)n3n2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one?
The InChIKey is GPVJMZRQOFDNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-5-4-10-20(11-12)16-9-8-15-18-14-7-3-2-6-13(14)17(22)21(15)19-16/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one?
2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one has a molecular weight of 294.36 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)pyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 6623759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).