(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate

C19H13N3O4 — CID 2559101

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H13N3O4/c23-17-13-6-2-1-5-12(13)9-10-15(17)19(25)26-11-22-18(24)14-7-3-4-8-16(14)20-21-22/h1-10,23H,11H2
InChIKeyPIWKCINALHOLGG-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.46
Rot. Bonds3

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate (PubChem CID 2559101) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
PubChem CID2559101
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H13N3O4/c23-17-13-6-2-1-5-12(13)9-10-15(17)19(25)26-11-22-18(24)14-7-3-4-8-16(14)20-21-22/h1-10,23H,11H2
InChIKeyPIWKCINALHOLGG-UHFFFAOYSA-N
XLogP2.46
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloroquinoline-4-carboxylate
CID 9009940
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-dibromo-2-hydroxybenzoate
CID 2344436
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbenzoate
CID 7554658
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 16571227
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate
CID 23993990
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2367823
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-chlorothiophene-2-carboxylate
CID 8024645
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-chloropyridine-3-carboxylate
CID 2636773
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate
CID 2378060
(4-oxo-1,2,3-benzotriazin-3-yl)methyl pentanoate
CID 23770829

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate (CID 2559101) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate is O=C(OCn1nnc2ccccc2c1=O)c1ccc2ccccc2c1O.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is PIWKCINALHOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-17-13-6-2-1-5-12(13)9-10-15(17)19(25)26-11-22-18(24)14-7-3-4-8-16(14)20-21-22/h1-10,23H,11H2.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).