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

C14H10N6O — CID 13019729

IUPAC2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1
InChIInChI=1S/C14H10N6O/c1-8-2-4-11-10(6-8)14(21)20-7-9(3-5-12(20)15-11)13-16-18-19-17-13/h2-7H,1H3,(H,16,17,18,19)
InChIKeyMTIDEYYXOZPOCM-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.34
Rot. Bonds1

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

2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 13019729) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
PubChem CID13019729
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1
InChIInChI=1S/C14H10N6O/c1-8-2-4-11-10(6-8)14(21)20-7-9(3-5-12(20)15-11)13-16-18-19-17-13/h2-7H,1H3,(H,16,17,18,19)
InChIKeyMTIDEYYXOZPOCM-UHFFFAOYSA-N
XLogP1.34
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.34
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 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (CID 13019729) is 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is Cc1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1.
What is the InChIKey of 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is MTIDEYYXOZPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-8-2-4-11-10(6-8)14(21)20-7-9(3-5-12(20)15-11)13-16-18-19-17-13/h2-7H,1H3,(H,16,17,18,19).
What are the key properties of 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 278.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 13019729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).