(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate

C19H15N5O2 — CID 4828791

IUPAC(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2nnnn2-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H15N5O2/c1-13-11-16(15-9-5-6-10-17(15)20-13)19(25)26-12-18-21-22-23-24(18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyLYLBENWMCADLKL-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.88
Rot. Bonds4

About (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate

(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 4828791) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate
PubChem CID4828791
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2nnnn2-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H15N5O2/c1-13-11-16(15-9-5-6-10-17(15)20-13)19(25)26-12-18-21-22-23-24(18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyLYLBENWMCADLKL-UHFFFAOYSA-N
XLogP2.88
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate (CID 4828791) is (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCc2nnnn2-c2ccccc2)c2ccccc2n1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is LYLBENWMCADLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-13-11-16(15-9-5-6-10-17(15)20-13)19(25)26-12-18-21-22-23-24(18)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate?
(1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 4828791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).