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

C13H8N6O — CID 3048828

IUPAC2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(-c3nn[nH]n3)ccc2nc2ccccn12
InChIInChI=1S/C13H8N6O/c20-13-9-7-8(12-15-17-18-16-12)4-5-10(9)14-11-3-1-2-6-19(11)13/h1-7H,(H,15,16,17,18)
InChIKeyJWDIMNSIYICISN-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.03
Rot. Bonds1

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

2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 3048828) has the molecular formula C13H8N6O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
PubChem CID3048828
Molecular FormulaC13H8N6O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(-c3nn[nH]n3)ccc2nc2ccccn12
InChIInChI=1S/C13H8N6O/c20-13-9-7-8(12-15-17-18-16-12)4-5-10(9)14-11-3-1-2-6-19(11)13/h1-7H,(H,15,16,17,18)
InChIKeyJWDIMNSIYICISN-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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Related Compounds

6-(3-phenylprop-1-ynyl)-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazolin-4-one
CID 10237960
2-butyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 9955424
2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
CID 19087866
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 44459556
2-Butyl-6-fluoro-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
CID 44274707
2-Butyl-6-iodo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
CID 44274710
2-butyl-5-fluoro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 44459544
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-(trifluoromethyl)quinazolin-4-one
CID 44459867
6-methyl-2-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 44459903
2-Butyl-6-isopropyl-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
CID 44209671
2-butyl-6-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 44274734
11H-Pyrido(2,1-b)quinazolin-11-one, 2-(1-methylethyl)-8-(1H-tetrazol-5-yl)-
CID 13241180

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (CID 3048828) is 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is O=c1c2cc(-c3nn[nH]n3)ccc2nc2ccccn12.
What is the InChIKey of 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is JWDIMNSIYICISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O/c20-13-9-7-8(12-15-17-18-16-12)4-5-10(9)14-11-3-1-2-6-19(11)13/h1-7H,(H,15,16,17,18).
What are the key properties of 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
2-(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 2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3048828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).