4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one

C17H13N5O — CID 47093620

IUPAC4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one
SMILESCc1c(-n2nnc(-c3ccccc3)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N5O/c1-11-13-9-5-6-10-14(13)18-17(23)15(11)22-20-16(19-21-22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,23)
InChIKeyCJNPHDJTETZKGI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.48
Rot. Bonds2

About 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one

4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one (PubChem CID 47093620) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one
PubChem CID47093620
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one
SMILESCc1c(-n2nnc(-c3ccccc3)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N5O/c1-11-13-9-5-6-10-14(13)18-17(23)15(11)22-20-16(19-21-22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,23)
InChIKeyCJNPHDJTETZKGI-UHFFFAOYSA-N
XLogP2.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one (CID 47093620) is 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one is Cc1c(-n2nnc(-c3ccccc3)n2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one?
The InChIKey is CJNPHDJTETZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-11-13-9-5-6-10-14(13)18-17(23)15(11)22-20-16(19-21-22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,23).
What are the key properties of 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one?
4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one has a molecular weight of 303.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-phenyltetrazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 47093620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).