(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C22H20N4O2 — CID 155321523

IUPAC(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3ccc(-c4cnc5c(c4C)NCCO5)cc32)[nH]1
InChIInChI=1S/C22H20N4O2/c1-12-3-5-15(25-12)10-17-16-9-14(4-6-19(16)26-21(17)27)18-11-24-22-20(13(18)2)23-7-8-28-22/h3-6,9-11,23,25H,7-8H2,1-2H3,(H,26,27)/b17-10-
InChIKeyHRJKWOAPKOHXES-YVLHZVERSA-N
MW372.43 g/mol
LogP3.99
Rot. Bonds2

About (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 155321523) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID155321523
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3ccc(-c4cnc5c(c4C)NCCO5)cc32)[nH]1
InChIInChI=1S/C22H20N4O2/c1-12-3-5-15(25-12)10-17-16-9-14(4-6-19(16)26-21(17)27)18-11-24-22-20(13(18)2)23-7-8-28-22/h3-6,9-11,23,25H,7-8H2,1-2H3,(H,26,27)/b17-10-
InChIKeyHRJKWOAPKOHXES-YVLHZVERSA-N
XLogP3.99
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 155321523) is (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is Cc1ccc(/C=C2\C(=O)Nc3ccc(-c4cnc5c(c4C)NCCO5)cc32)[nH]1.
What is the InChIKey of (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is HRJKWOAPKOHXES-YVLHZVERSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-12-3-5-15(25-12)10-17-16-9-14(4-6-19(16)26-21(17)27)18-11-24-22-20(13(18)2)23-7-8-28-22/h3-6,9-11,23,25H,7-8H2,1-2H3,(H,26,27)/b17-10-.
What are the key properties of (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 155321523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).