N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide

C21H14N4O3 — CID 11837321

IUPACN-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc2c1Oc1nc3ccccc3nc1O2
InChIInChI=1S/C21H14N4O3/c26-19(23-12-13-8-10-22-11-9-13)14-4-3-7-17-18(14)28-21-20(27-17)24-15-5-1-2-6-16(15)25-21/h1-11H,12H2,(H,23,26)
InChIKeyGQGKQJWZGTVGBG-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.85
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide

N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide (PubChem CID 11837321) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide
PubChem CID11837321
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC NameN-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc2c1Oc1nc3ccccc3nc1O2
InChIInChI=1S/C21H14N4O3/c26-19(23-12-13-8-10-22-11-9-13)14-4-3-7-17-18(14)28-21-20(27-17)24-15-5-1-2-6-16(15)25-21/h1-11H,12H2,(H,23,26)
InChIKeyGQGKQJWZGTVGBG-UHFFFAOYSA-N
XLogP3.85
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 82179158
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
CID 110702680
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701855
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide (CID 11837321) is N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide is O=C(NCc1ccncc1)c1cccc2c1Oc1nc3ccccc3nc1O2.
What is the InChIKey of N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide?
The InChIKey is GQGKQJWZGTVGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c26-19(23-12-13-8-10-22-11-9-13)14-4-3-7-17-18(14)28-21-20(27-17)24-15-5-1-2-6-16(15)25-21/h1-11H,12H2,(H,23,26).
What are the key properties of N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide?
N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide is sourced from PubChem (CID 11837321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).