3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide

C21H22N4O2 — CID 66905357

IUPAC3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
SMILESCN(Cc1cn(C)c2ccccc12)C(=O)C=Cc1cnc2c(c1)OCCN2
InChIInChI=1S/C21H22N4O2/c1-24-13-16(17-5-3-4-6-18(17)24)14-25(2)20(26)8-7-15-11-19-21(23-12-15)22-9-10-27-19/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,23)
InChIKeyUEHCZUVGWUJNSC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds4

About 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide

3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide (PubChem CID 66905357) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
PubChem CID66905357
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
SMILESCN(Cc1cn(C)c2ccccc12)C(=O)C=Cc1cnc2c(c1)OCCN2
InChIInChI=1S/C21H22N4O2/c1-24-13-16(17-5-3-4-6-18(17)24)14-25(2)20(26)8-7-15-11-19-21(23-12-15)22-9-10-27-19/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,23)
InChIKeyUEHCZUVGWUJNSC-UHFFFAOYSA-N
XLogP3.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide (CID 66905357) is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide is CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc1cnc2c(c1)OCCN2.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide?
The InChIKey is UEHCZUVGWUJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-13-16(17-5-3-4-6-18(17)24)14-25(2)20(26)8-7-15-11-19-21(23-12-15)22-9-10-27-19/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide?
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 66905357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).