2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide

C18H19ClN4O3 — CID 110831649

IUPAC2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide
SMILESCCC1Oc2ccc(N)nc2N(C(C)C(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H19ClN4O3/c1-3-13-18(25)23(16-14(26-13)8-9-15(20)22-16)10(2)17(24)21-12-6-4-11(19)5-7-12/h4-10,13H,3H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyQMHOUYOHPSJSHU-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.85
Rot. Bonds4

About 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide

2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide (PubChem CID 110831649) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide
PubChem CID110831649
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide
SMILESCCC1Oc2ccc(N)nc2N(C(C)C(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H19ClN4O3/c1-3-13-18(25)23(16-14(26-13)8-9-15(20)22-16)10(2)17(24)21-12-6-4-11(19)5-7-12/h4-10,13H,3H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyQMHOUYOHPSJSHU-UHFFFAOYSA-N
XLogP2.85
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide (CID 110831649) is 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide is CCC1Oc2ccc(N)nc2N(C(C)C(=O)Nc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide?
The InChIKey is QMHOUYOHPSJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-3-13-18(25)23(16-14(26-13)8-9-15(20)22-16)10(2)17(24)21-12-6-4-11(19)5-7-12/h4-10,13H,3H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide?
2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide has a molecular weight of 374.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 110831649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).