N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide

C18H14N4O4 — CID 20773061

IUPACN-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide
SMILESCNC(=O)c1cccc2c1Oc1c(c(=O)n(-c3ccccc3)[nH]c1=O)N2
InChIInChI=1S/C18H14N4O4/c1-19-16(23)11-8-5-9-12-14(11)26-15-13(20-12)18(25)22(21-17(15)24)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,19,23)(H,21,24)
InChIKeySUTRQXVQUZQGPT-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.73
Rot. Bonds2

About N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide

N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide (PubChem CID 20773061) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide
PubChem CID20773061
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide
SMILESCNC(=O)c1cccc2c1Oc1c(c(=O)n(-c3ccccc3)[nH]c1=O)N2
InChIInChI=1S/C18H14N4O4/c1-19-16(23)11-8-5-9-12-14(11)26-15-13(20-12)18(25)22(21-17(15)24)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,19,23)(H,21,24)
InChIKeySUTRQXVQUZQGPT-UHFFFAOYSA-N
XLogP1.73
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide?
The IUPAC name of N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide (CID 20773061) is N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide.
What is the SMILES notation for N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide?
The canonical SMILES for N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide is CNC(=O)c1cccc2c1Oc1c(c(=O)n(-c3ccccc3)[nH]c1=O)N2.
What is the InChIKey of N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide?
The InChIKey is SUTRQXVQUZQGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-19-16(23)11-8-5-9-12-14(11)26-15-13(20-12)18(25)22(21-17(15)24)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,19,23)(H,21,24).
What are the key properties of N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide?
N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-dioxo-2-phenyl-3,10-dihydropyridazino[4,5-b][1,4]benzoxazine-6-carboxamide is sourced from PubChem (CID 20773061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).