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

C21H20N4O3 — CID 66780925

IUPACN-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C21H20N4O3/c1-24(12-16-10-15-5-3-4-6-17(15)25(16)2)20(27)8-7-14-9-18-21(22-11-14)23-19(26)13-28-18/h3-11H,12-13H2,1-2H3,(H,22,23,26)
InChIKeyRGHVMOAOAANZRU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.58
Rot. Bonds4

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

N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide (PubChem CID 66780925) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
PubChem CID66780925
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C21H20N4O3/c1-24(12-16-10-15-5-3-4-6-17(15)25(16)2)20(27)8-7-14-9-18-21(22-11-14)23-19(26)13-28-18/h3-11H,12-13H2,1-2H3,(H,22,23,26)
InChIKeyRGHVMOAOAANZRU-UHFFFAOYSA-N
XLogP2.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide (CID 66780925) is N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide is CN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide?
The InChIKey is RGHVMOAOAANZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24(12-16-10-15-5-3-4-6-17(15)25(16)2)20(27)8-7-14-9-18-21(22-11-14)23-19(26)13-28-18/h3-11H,12-13H2,1-2H3,(H,22,23,26).
What are the key properties of N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide?
N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide has a molecular weight of 376.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide is sourced from PubChem (CID 66780925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).