8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one

C13H8N6O — CID 13019728

IUPAC8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2ccc(-c3nn[nH]n3)cn12
InChIInChI=1S/C13H8N6O/c20-13-9-3-1-2-4-10(9)14-11-6-5-8(7-19(11)13)12-15-17-18-16-12/h1-7H,(H,15,16,17,18)
InChIKeyVDTILFANVMDZEW-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.03
Rot. Bonds1

About 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one

8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 13019728) has the molecular formula C13H8N6O and a molecular weight of 264.25 g/mol. Its IUPAC name is 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
PubChem CID13019728
Molecular FormulaC13H8N6O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2ccc(-c3nn[nH]n3)cn12
InChIInChI=1S/C13H8N6O/c20-13-9-3-1-2-4-10(9)14-11-6-5-8(7-19(11)13)12-15-17-18-16-12/h1-7H,(H,15,16,17,18)
InChIKeyVDTILFANVMDZEW-UHFFFAOYSA-N
XLogP1.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (CID 13019728) is 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is O=c1c2ccccc2nc2ccc(-c3nn[nH]n3)cn12.
What is the InChIKey of 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is VDTILFANVMDZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O/c20-13-9-3-1-2-4-10(9)14-11-6-5-8(7-19(11)13)12-15-17-18-16-12/h1-7H,(H,15,16,17,18).
What are the key properties of 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 264.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 13019728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).