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

C16H14N6O — CID 13241180

IUPAC2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1
InChIInChI=1S/C16H14N6O/c1-9(2)10-3-5-13-12(7-10)16(23)22-8-11(4-6-14(22)17-13)15-18-20-21-19-15/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyPSBJNAVROXYISE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.15
Rot. Bonds2

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

2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 13241180) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
PubChem CID13241180
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
SMILESCC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1
InChIInChI=1S/C16H14N6O/c1-9(2)10-3-5-13-12(7-10)16(23)22-8-11(4-6-14(22)17-13)15-18-20-21-19-15/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyPSBJNAVROXYISE-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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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-Amino-2-butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
CID 44274673
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 44459556
8-methyl-2-pyrrolidin-1-yl-10H-pyridazino[6,1-b]quinazolin-10-one
CID 3238269
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
6-(3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 9850385

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one (CID 13241180) is 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is CC(C)c1ccc2nc3ccc(-c4nn[nH]n4)cn3c(=O)c2c1.
What is the InChIKey of 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is PSBJNAVROXYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9(2)10-3-5-13-12(7-10)16(23)22-8-11(4-6-14(22)17-13)15-18-20-21-19-15/h3-9H,1-2H3,(H,18,19,20,21).
What are the key properties of 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one?
2-propan-2-yl-8-(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 2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 13241180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).