7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C23H20N4O3 — CID 58346086

IUPAC7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCOc1ccc2cc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N4O3/c1-29-18-8-7-15-11-19(26-20(15)13-18)16-12-21-22(24-14-16)27(9-10-30-21)23(28)25-17-5-3-2-4-6-17/h2-8,11-14,26H,9-10H2,1H3,(H,25,28)
InChIKeyKHQBBWYDAIVWFL-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.67
Rot. Bonds3

About 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 58346086) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID58346086
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCOc1ccc2cc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H20N4O3/c1-29-18-8-7-15-11-19(26-20(15)13-18)16-12-21-22(24-14-16)27(9-10-30-21)23(28)25-17-5-3-2-4-6-17/h2-8,11-14,26H,9-10H2,1H3,(H,25,28)
InChIKeyKHQBBWYDAIVWFL-UHFFFAOYSA-N
XLogP4.67
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 58346086) is 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is COc1ccc2cc(-c3cnc4c(c3)OCCN4C(=O)Nc3ccccc3)[nH]c2c1.
What is the InChIKey of 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is KHQBBWYDAIVWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-18-8-7-15-11-19(26-20(15)13-18)16-12-21-22(24-14-16)27(9-10-30-21)23(28)25-17-5-3-2-4-6-17/h2-8,11-14,26H,9-10H2,1H3,(H,25,28).
What are the key properties of 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 58346086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).