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

C16H14N6O — CID 3080008

IUPAC8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cc3c(=O)n2c1
InChIInChI=1S/C16H14N6O/c1-9(2)11-4-6-14-17-13-5-3-10(15-18-20-21-19-15)7-12(13)16(23)22(14)8-11/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyPLMCTCFGZLOZKC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.15
Rot. Bonds2

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

8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 3080008) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
PubChem CID3080008
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cc3c(=O)n2c1
InChIInChI=1S/C16H14N6O/c1-9(2)11-4-6-14-17-13-5-3-10(15-18-20-21-19-15)7-12(13)16(23)22(14)8-11/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyPLMCTCFGZLOZKC-UHFFFAOYSA-N
XLogP2.15
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.15
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-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (CID 3080008) is 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is CC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cc3c(=O)n2c1.
What is the InChIKey of 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is PLMCTCFGZLOZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9(2)11-4-6-14-17-13-5-3-10(15-18-20-21-19-15)7-12(13)16(23)22(14)8-11/h3-9H,1-2H3,(H,18,19,20,21).
What are the key properties of 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 306.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3080008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).