6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C23H22N4O3 — CID 58346084

IUPAC6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCN1CCOc2cc(-c3ccc4c(n3)N(C(=O)Nc3ccccc3)CCO4)ccc21
InChIInChI=1S/C23H22N4O3/c1-26-11-13-30-21-15-16(7-9-19(21)26)18-8-10-20-22(25-18)27(12-14-29-20)23(28)24-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyMMKAIOZIXIICCL-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.01
Rot. Bonds2

About 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 58346084) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID58346084
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCN1CCOc2cc(-c3ccc4c(n3)N(C(=O)Nc3ccccc3)CCO4)ccc21
InChIInChI=1S/C23H22N4O3/c1-26-11-13-30-21-15-16(7-9-19(21)26)18-8-10-20-22(25-18)27(12-14-29-20)23(28)24-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyMMKAIOZIXIICCL-UHFFFAOYSA-N
XLogP4.01
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 58346084) is 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is CN1CCOc2cc(-c3ccc4c(n3)N(C(=O)Nc3ccccc3)CCO4)ccc21.
What is the InChIKey of 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is MMKAIOZIXIICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-26-11-13-30-21-15-16(7-9-19(21)26)18-8-10-20-22(25-18)27(12-14-29-20)23(28)24-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 58346084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).